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4-Methyl-4-phenyl-2-cyclohexen-1-one
SpectraBase Compound ID 4sMMjLrwRk8
InChI InChI=1S/C13H14O/c1-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChIKey NTASQMWLMVNJSS-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BS9WX8rOHcb
Name 2-Cyclohexen-1-one, 4-methyl-4-phenyl-
CAS Registry Number 17429-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c1-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChIKey NTASQMWLMVNJSS-UHFFFAOYSA-N
Molecular Weight 186.254 g/mol
SMILES CC1(CCC(=O)C=C1)c1ccccc1
SPLASH splash10-002o-2900000000-7b67643aafbec8fa56ae
Source of Spectrum W5-13355-0-0
Synonyms 4-Methyl-4-phenyl-2-cyclohexen-1-one 4-Methyl-4-phenyl-1-cyclohex-2-enone 4-Methyl-4-phenyl-cyclohex-2-en-1-one
Wiley ID 1183383