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3-Oxobutanenitrile

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

3-Oxobutanenitrile
SpectraBase Compound ID 2aYjlOOvlrD
InChI InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3
InChIKey OPXYNEYEDHAXOM-UHFFFAOYSA-N
Mol Weight 83.09 g/mol
Molecular Formula C4H5NO
Exact Mass 83.037114 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JlpcNC5AfWm
Name butanenitrile, 3-oxo-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3
InChIKey OPXYNEYEDHAXOM-UHFFFAOYSA-N
NMR Offset 18.0054
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5886
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: NMR/15297299