NMR Spectra of 2-methyl-1-propanol

This page contains FID and Spectra for 2-methyl-1-propanol that were aquired for Advanced Spectroscopy. This dataset demonstrates a variety of different NMR experiments.

Chemical Structure of 2-methyl-1-propanol

Proton NMR

The proton NMR spectrum includes a doublet at 3.4 ppm from the CH2 protons, a singlet at 2.11 ppm from the -OH proton, a septet at 1.8 ppm from the CH proton, and a doublet at 0.9 ppm from the CH3 protons. This spectrum shows how coupling and integration help the assignment of NMR peaks.
  • FID in NUTS format (130k)
  • Processed Spectrum in NUTS format (258 k)
  • Spectrum in GIF format (6 k)

    • Carbon-13 NMR

    Based on chemical shifts, the carbon spectrum is tenatively assigned as follows: CH3 carbons at 19 ppm, CH carbon at 31 ppm, and CH2 carbon at 70 ppm. The triplet at 77 ppm is from the solvent (CDCl3) carbons split by deuterium (deuterium has a spin quantum number of 1, so it has three spin states).
  • FID in NUTS format (258 k)
  • Processed spectrum in NUTS format (514 k)
  • Spectrum in GIF format (5 k)

    Coupling and NOE in Carbon-13 NMR

    This set of spectra show the effect of carbon-proton coupling (splitting of carbon peaks) and NOE on the C-13 spectrum.

    The coupled carbon spectra are useful for verifying chemical shift assignments. The CH3 carbons at 19 ppm are split into a quartet, the CH carbon at 31 ppm is split into a doublet, and the CH2 carbon at 70 ppm is split into a triplet. The coupling constant for these splittings, approximately 125 Hz, is consistant with C-H coupling and the splitting patterns are consistant with the previous shift assignment.

    The effect of the NOE is apparent when the different pulse sequences are compared. The CDCl3 triplet at 77 ppm. is not effected by the proton decoupling because the deuterium signal is at a different frequency. As a result it is a useful internal standard when comparing experiments.

  • Decoupled C-13 Spectrum. This is a typical C-13 spectrum with broadband decoupling of protons.
  • FID in NUTS format (263 k)
  • Spectrum in Replica format (35 k)
  • Spectrum in GIF format (4 k)
  • Coupled C-13 Spectrum. This is a C-13 spectrum with the decoupler turned off to produce a coupled C-13 spectrum.
  • FID in NUTS format (263 k)
  • Spectrum in Replica format (48 k)
  • Spectrum in GIF format (4 k)
  • Decoupled C-13 Spectrum without NOE. In this experiment the decoupler is only on during data aquisition. This produces a decoupled spectrum but does not allow NOE to build up. The effect of the NOE is apparent when you compare the intensity of these peaks with the regular decoupled C-13 spectrum.
  • FID in NUTS format (263 k)
  • Spectrum in Replica format (30 k)
  • Spectrum in GIF format (4 k)
  • Coupled C-13 Spectrum with NOE. In this experiment the decoupler is off during aquisition, but it is turned on between aquisitions. This produces a coupled C-13 spectrum, but the NOE has time to build up between acquisitions. The S/N improvement from the NOE is apparent when this spectrum is compared with the regular coupled C-13 spectrum.
  • FID in NUTS format (263 k)
  • Spectrum in Replica format (48 k)
  • Spectrum in GIF format (5 k)

    Spectral Editing (APT and DEPT)

    This set of spectra show how special pulse techniques like DEPT and APT can help interpret NMR spectra. The information from these experiments is very similar to that obtained from a coupled C-13 specturm.
  • APT spectrum. This pulse sequence produces a C-13 spectrum where C and CH2 carbons are inverted relative to CH and CH3 carbons.
  • FID in NUTS format (263 k)
  • Spectrum in Replica format (64 k)
  • Spectrum in GIF format (5 k)
  • DEPT-45. This pulse sequence produces a spectrum where all carbons are observed. The polarization transfer from the pulse sequence significantly increases the S/N for carbons with attached protons.
  • FID in NUTS format (132 k)
  • Spectrum in Replica format (32 k)
  • Spectrum in GIF format (4 k)
  • DEPT-90. This pulse sequence produces a spectrum where only CH carbons are observed (Small peaks are observed for other carbons IF the delays are not just right in the pulse sequence).
  • FID in NUTS format (132 k)
  • Spectrum in Replica format (40 k)
  • Spectrum in GIF format (4 k)
  • DEPT-135. This pulse sequence produces a spectrum where the peaks for CH2 carbons are inverted, CH and CH3 carbons are up.
  • FID in NUTS format (132 k)
  • Spectrum in Replica format (31 k)
  • Spectrum in GIF format (4 k)

    T1 Inversion Recovery Data

    The T1 inversion recovery experiment is used to determine the time constant for spin lattice relaxation. This is useful for studying physical processes and of practical importance for preventing saturation during NMR experiments. This data set is available as a 2D NUTS file containing processed spectra or as a stacked plot in *.gif and *.rpl format. NUTS includes macros to process this T1 data (see the help menus in NUTS). A Lotus 123 v4 worksheet with the data workup is included for the proton T1 experiment.

  • Proton T1 Inversion Recovery
  • 2D spectrum NUTS format
  • Stacked plot in Replica format
  • Stacked plot in GIF format
  • Lotus worksheet
  • Carbon-13 T1 Inversion Recovery
  • 2D spectrum NUTS format
  • Stacked plot in Replica format
  • Stacked plot in GIF format

    2-D NMR Data

    Return to NMR Data at Widener University.

    This page is maintained by Scott Van Bramer

    Please send any comments, corrections, or suggetions to svanbram@science.widener.edu.

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    Last Updated 1/5/96