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4-Benzylcyclohex-2-en-1-one
SpectraBase Compound ID IwdsewLMGva
InChI InChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2
InChIKey CMBMYOXQJBCPFT-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 DtbgzK4Rou2
Name 4-Benzylcyclohex-2-en-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2
InChIKey CMBMYOXQJBCPFT-UHFFFAOYSA-N
Molecular Weight 186.254 g/mol
SMILES C1=CC(Cc2ccccc2)CCC1=O
SPLASH splash10-0006-9100000000-df181eefa05ad824431d
Source of Spectrum F-54-6438-22
Synonyms 4-benzyl-2-cyclohexen-1-one 4-(phenylmethyl)-1-cyclohex-2-enone
Wiley ID 807450