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(3E,5E)-2-ketohepta-3,5-dienenitrile
SpectraBase Compound ID 8od8ibr3DQt
InChI InChI=1S/C7H7NO/c1-2-3-4-5-7(9)6-8/h2-5H,1H3/b3-2+,5-4+
InChIKey ZZAOVMBTMFJELS-MQQKCMAXSA-N
Mol Weight 121.14 g/mol
Molecular Formula C7H7NO
Exact Mass 121.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BB6PjAOhmo7
Name 3,5-Heptadienenitrile, 2-oxo-
Alternate Name(s) (2E,4E)-hexa-2,4-dienoyl cyanide (3E,5E)-2-ketohepta-3,5-dienenitrile (3E,5E)-2-oxidanylidenehepta-3,5-dienenitrile (3E,5E)-2-oxohepta-3,5-dienenitrile
CAS Registry Number 77290-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO
InChI InChI=1S/C7H7NO/c1-2-3-4-5-7(9)6-8/h2-5H,1H3/b3-2+,5-4+
InChIKey ZZAOVMBTMFJELS-MQQKCMAXSA-N
Molecular Weight 121.139 g/mol
SMILES C(#N)C(\C=C\C=C\C)=O
SPLASH splash10-0aor-7900000000-69a0e4f9003a65e60137
Source of Spectrum J-51-1203-1
Wiley ID 1127487