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(3E)-3-Methyl-3-hexen-2-one
SpectraBase Compound ID 9K9PfOHo8RQ
InChI InChI=1S/C7H12O/c1-4-5-6(2)7(3)8/h5H,4H2,1-3H3/b6-5+
InChIKey VUMOHCHGPYCDSV-AATRIKPKSA-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 JMNlaTzPaEj
Name (3E)-3-Methyl-3-hexen-2-one
CAS Registry Number 1187-80-0
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/h5H,4H2,1-3H3/b6-5+
InChIKey VUMOHCHGPYCDSV-AATRIKPKSA-N
Molecular Weight 112.172 g/mol
SMILES C\C(C(C)=O)=C/CC
SPLASH splash10-0006-9000000000-dc95e7e47fa97cefe50a
Source of Spectrum HE-1982-0-0
Synonyms (E)-3-methyl-3-hexen-2-one (E)-3-methylhex-3-en-2-one 3-Hexen-2-one, 3-methyl- 3-Methyl-3-hexen-2-one
Wiley ID 1123318