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(3E)-Hexenoic acid
SpectraBase Compound ID 9IdfCQRwQKm
InChI InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+
InChIKey VQKIKHHXFHNXJT-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 ED9dyyRhl1s
Name 4-Hepten-2-one, (E)-
Alternate Name(s) (4E)-4-Hepten-2-one (E)-4-hepten-2-one (E)-hept-4-en-2-one
CAS Registry Number 36678-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+
InChIKey VQKIKHHXFHNXJT-SNAWJCMRSA-N
Molecular Weight 112.172 g/mol
SMILES CC\C=C\CC(C)=O
SPLASH splash10-0006-9000000000-6e9609075a8f83ef6e7d
Source of Spectrum W5-2150-0-0
Wiley ID 1123314