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6-Heptenenitrile, 2-ethenyl-2-methyl-4-oxo-
SpectraBase Compound ID K1k9qiz4u5e
InChI InChI=1S/C10H13NO/c1-4-6-9(12)7-10(3,5-2)8-11/h4-5H,1-2,6-7H2,3H3
InChIKey YJVVDMJVQGYUAQ-UHFFFAOYSA-N
Mol Weight 163.22 g/mol
Molecular Formula C10H13NO
Exact Mass 163.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uRHxPsqKr6
Name 6-Heptenenitrile, 2-ethenyl-2-methyl-4-oxo-
CAS Registry Number 69688-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO
InChI InChI=1S/C10H13NO/c1-4-6-9(12)7-10(3,5-2)8-11/h4-5H,1-2,6-7H2,3H3
InChIKey YJVVDMJVQGYUAQ-UHFFFAOYSA-N
Molecular Weight 163.220 g/mol
SMILES C=CCC(CC(C#N)(C)C=C)=O
SPLASH splash10-00r6-9500000000-7ffd42c1118150c3986f
Source of Spectrum W5-1989-52053-13483
Synonyms 2-Methyl-4-oxo-2-vinyl-6-heptenenitrile 2-Ethenyl-2-methyl-4-oxidanylidene-hept-6-enenitrile 2-Ethenyl-2-methyl-4-oxo-6-heptenenitrile 2-Ethenyl-2-methyl-4-oxohept-6-enenitrile 2-Methyl-4-oxo-2-vinyl-hept-6-enenitrile 4-keto-2-methyl-2-vinyl-hept-6-enenitrile
Wiley ID 1159557