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3,5-Octadien-2-one

View entire compound with spectra: 7 MS (GC)

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 D5vvK20JDBd
Name 3,5-OCTADIEN-2-ONE
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 124.088815005 u
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
Nominal Mass 124 u
Number of Peaks 42
SMILES CC(\C=C\C=C\CC)=O
SPLASH splash10-0007-9000000000-1d242e99ad7e93f2977a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000298