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trans-3,cis-5-octadien-2-one
SpectraBase Compound ID HMiamzPKbhq
InChI InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4-,7-6+
InChIKey LWRKMRFJEUFXIB-SCFJQAPRSA-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 2MGq5pNbhg
Name trans-3,cis-5-octadien-2-one
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-SCFJQAPRSA-N
Literature Reference DOI 10.1002/hlca.19740570506
Molecular Weight 124.183 g/mol
SMILES CC(\C=C\C=C/CC)=O
SPLASH splash10-000y-9100000000-36307a11aea672701306
Source of Spectrum H-57-1302-1302_26
Synonyms (3E,5Z)-octa-3,5-dien-2-one
Wiley ID 1797190