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E-5-METHYL-5-HEPTEN-3-ONE
SpectraBase Compound ID JMhjUpiwOy5
InChI InChI=1S/C8H14O/c1-4-7(3)6-8(9)5-2/h4H,5-6H2,1-3H3/b7-4+
InChIKey WCGMLWCUUJVXJQ-QPJJXVBHSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VrlccBt1Of
Name (5E)-5-Methyl-5-hepten-3-one
CAS Registry Number 1190-34-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-4-7(3)6-8(9)5-2/h4H,5-6H2,1-3H3/b7-4+
InChIKey WCGMLWCUUJVXJQ-QPJJXVBHSA-N
Molecular Weight 126.199 g/mol
SMILES CCC(=O)C\C(C)=C\C
SPLASH splash10-0a6r-9000000000-f52751f7a625a92eba8e
Source of Spectrum HE-1982-0-0
Synonyms (E)-5-methyl-5-hepten-3-one (E)-5-methylhept-5-en-3-one 5-Hepten-3-one, 5-methyl- 5-Methyl-5-hepten-3-one
Wiley ID 1130112