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2-Cyclohexen-1-one, 5-ethyl-3-methyl-4-propylidene-
SpectraBase Compound ID GOPuQbiPrLS
InChI InChI=1S/C12H18O/c1-4-6-12-9(3)7-11(13)8-10(12)5-2/h6-7,10H,4-5,8H2,1-3H3/b12-6-
InChIKey ONTCMJDVZPAHNH-SDQBBNPISA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gg99c2dTval
Name 2-Cyclohexen-1-one, 5-ethyl-3-methyl-4-propylidene-
CAS Registry Number 40920-69-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-4-6-12-9(3)7-11(13)8-10(12)5-2/h6-7,10H,4-5,8H2,1-3H3/b12-6-
InChIKey ONTCMJDVZPAHNH-SDQBBNPISA-N
Molecular Weight 178.275 g/mol
SMILES C=1(\C(C(CC)CC(C1)=O)=C\CC)C
SPLASH splash10-00bc-7900000000-8601a1956aaa652ad810
Source of Spectrum AC-1976-557-2
Synonyms (4E)-5-ethyl-3-methyl-4-propylidene-2-cyclohexen-1-one 3-Methyl-5-ethyl-4-propylidene-cyclohex-2-ene-1-one
Wiley ID 1174591