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3,7-Octadien-2-one, (E)-
SpectraBase Compound ID 1chu0N46bIJ
InChI InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h3,6-7H,1,4-5H2,2H3/b7-6+
InChIKey WDIFTBWPYIVZNY-VOTSOKGWSA-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 ImrtaKG7wil
Name 3,7-Octadien-2-one, (E)-
CAS Registry Number 25172-06-9
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/h3,6-7H,1,4-5H2,2H3/b7-6+
InChIKey WDIFTBWPYIVZNY-VOTSOKGWSA-N
Molecular Weight 124.183 g/mol
SMILES CC(=O)\C=C\CCC=C
SPLASH splash10-0006-9000000000-99732e16382a479cd14b
Source of Spectrum SD-1981-0-0
Synonyms (3E)-3,7-Octadien-2-one (3E)-2-octa-3,7-dienone (3E)-octa-3,7-dien-2-one (E)-3,7-Octadien-2-one 3,7-Octadien-2-one
Wiley ID 1128888