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3-cyano-3-methyl-5-hexenamide
SpectraBase Compound ID 5XbwMh0Zmcp
InChI InChI=1S/C8H12N2O/c1-3-4-8(2,6-9)5-7(10)11/h3H,1,4-5H2,2H3,(H2,10,11)
InChIKey CNOKBXFGUFGGJK-UHFFFAOYSA-N
Mol Weight 152.2 g/mol
Molecular Formula C8H12N2O
Exact Mass 152.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApYTSOv8ixG
Name 3-cyano-3-methyl-5-hexenamide
CAS Registry Number 113661-30-6
Comments Removed - expert review: contamination (acetone))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O
InChI InChI=1S/C8H12N2O/c1-3-4-8(2,6-9)5-7(10)11/h3H,1,4-5H2,2H3,(H2,10,11)
InChIKey CNOKBXFGUFGGJK-UHFFFAOYSA-N
Molecular Weight 152.197 g/mol
SMILES NC(CC(C#N)(CC=C)C)=O
SPLASH splash10-0a4i-9100000000-55cc99a76501ddff3648
Source of Spectrum KC-1987-1682-14
Synonyms 3-Cyano-3-methylhex-5-enamide
Wiley ID 1148880