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5-Oxohexanenitrile

View entire compound with spectra: 8 NMR, 4 FTIR, and 3 MS (GC)

5-Oxohexanenitrile
SpectraBase Compound ID JlzvsncJYFX
InChI InChI=1S/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3
InChIKey AEVMBQIIZGKQRB-UHFFFAOYSA-N
Mol Weight 111.14 g/mol
Molecular Formula C6H9NO
Exact Mass 111.068414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6XDhcHlzK2
Name 1-CYANOPENTANONE-4
Comments MOS10040
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H9NO
InChI InChI=1S/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3
InChIKey AEVMBQIIZGKQRB-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference N.I.KAPUSTINA, G.I.NIKISHIN (1992) Izv.Akad.Nauk SSSR(Russ. Lang.): N12, 2760-2763.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d