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(3E,5E)-3,5-Octadien-2-one
SpectraBase Compound ID H6zCZ4FbaNb
InChI InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
InChIKey LWRKMRFJEUFXIB-YTXTXJHMSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3N1YTXtdGoK
Name (3E,5E)-3,5-Octadien-2-one
Alternate Name(s) (3E,5E)-2-octa-3,5-dienone (3E,5E)-octa-3,5-dien-2-one 3,5-Octadien-2-one 3,5-Octadien-2-one, (E,E)- (E,E)-3,5-Octadien-2-one 3,5-Octadiene-2-one trans,trans-3,5-Octadien-2-one
CAS Registry Number 30086-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
InChIKey LWRKMRFJEUFXIB-YTXTXJHMSA-N
Molecular Weight 124.183 g/mol
SMILES CC(=O)\C=C\C=C\CC
SPLASH splash10-0007-9000000000-f6ac3f551dcc6ebcdb25
Source of Spectrum JZ-1992-3654-0
Wiley ID 1128887