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3,7-Octadien-2-one
SpectraBase Compound ID LDvCRPE0ENO
InChI InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h3,6-7H,1,4-5H2,2H3/b7-6-
InChIKey WDIFTBWPYIVZNY-SREVYHEPSA-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 BKLqK93c0C6
Name 3,7-Octadien-2-one
CAS Registry Number 3643-55-8
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-SREVYHEPSA-N
Molecular Weight 124.183 g/mol
SMILES C(\C=C/CCC=C)(=O)C
SPLASH splash10-053r-9200000000-3a0a560e942e6e83531f
Source of Spectrum O-24-645-5
Synonyms (3Z)-2-octa-3,7-dienone (3Z)-octa-3,7-dien-2-one
Wiley ID 1129056