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(4E)-3-Methyl-4-hexen-2-one
SpectraBase Compound ID J0ibMk5wE2Q
InChI InChI=1S/C7H12O/c1-4-5-6(2)7(3)8/h4-6H,1-3H3/b5-4+
InChIKey KXOKGQNYBFVWOX-SNAWJCMRSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WwfkMIyEmT
Name (4E)-3-Methyl-4-hexen-2-one
CAS Registry Number 72189-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-4-5-6(2)7(3)8/h4-6H,1-3H3/b5-4+
InChIKey KXOKGQNYBFVWOX-SNAWJCMRSA-N
Molecular Weight 112.172 g/mol
SMILES CC(C(C)=O)\C=C\C
SPLASH splash10-0006-9000000000-119f35d8d9003892229e
Source of Spectrum HE-1982-0-0
Synonyms 4-Hexen-2-one, 3-methyl- (E)-3-methyl-4-hexen-2-one (E)-3-methylhex-4-en-2-one 3-Methyl-4-hexen-2-one
Wiley ID 1123321