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3-(Phenylmethyl)-1-cyclohex-2-enone
SpectraBase Compound ID Dh0BAsORLYj
InChI InChI=1S/C13H14O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2
InChIKey KOXOMBOOVTWPNC-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 HPlghiHQAwx
Name 3-(Phenylmethyl)-1-cyclohex-2-enone
Alternate Name(s) 3-(Phenylmethyl)cyclohex-2-en-1-one 3-Benzyl-2-cyclohexen-1-one 3-Benzylcyclohex-2-en-1-one
CAS Registry Number 103130-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2
InChIKey KOXOMBOOVTWPNC-UHFFFAOYSA-N
Molecular Weight 186.254 g/mol
SMILES C1(=CC(=O)CCC1)Cc1ccccc1
SPLASH splash10-0a70-1900000000-dadde9d0986398155901
Source of Spectrum J-57-5429-7
Wiley ID 1183460