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Heptanenitrile

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, 9 MS (GC), and 4 Near IR

Heptanenitrile
SpectraBase Compound ID DWIGJMStMxW
InChI InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
InChIKey SDAXRHHPNYTELL-UHFFFAOYSA-N
Mol Weight 111.19 g/mol
Molecular Formula C7H13N
Exact Mass 111.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4reuWN3zPGb
Name Heptanenitrile
CAS Registry Number 629-08-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13N
InChI InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
InChIKey SDAXRHHPNYTELL-UHFFFAOYSA-N
Molecular Weight 111.188 g/mol
SMILES CCCCCCC#N
SPLASH splash10-000x-9000000000-3c801f35283e118a853b
Source of Spectrum E-34-27-9
Synonyms 1-Cyanohexane 1-Heptanonitrile Enanthonitrile Heptane-1-nitrile Heptanonitrile Hexyl cyanide n-Heptanenitrile n-Hexyl cyanide AI3-28301 EINECS 211-071-4 NSC 2172
Wiley ID 1122875