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2-[(2-Chlorophenyl)methyl]-3-hydroxy-2-cyclohexen-1-one
SpectraBase Compound ID 5YmIBDuz3RV
InChI InChI=1S/C13H13ClO2/c14-11-5-2-1-4-9(11)8-10-12(15)6-3-7-13(10)16/h1-2,4-5,15H,3,6-8H2
InChIKey LRSSCXKWOBMDGO-UHFFFAOYSA-N
Mol Weight 236.7 g/mol
Molecular Formula C13H13ClO2
Exact Mass 236.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20g42aOdLXl
Name 2-[(2-Chlorophenyl)methyl]-3-hydroxy-2-cyclohexen-1-one
Alternate Name(s) 2-(2-Chlorobenzyl)-3-hydroxycyclohex-2-enone 2-[(2-chlorophenyl)methyl]-3-hydroxy-1-cyclohex-2-enone 2-[(2-chlorophenyl)methyl]-3-hydroxycyclohex-2-en-1-one 2-[(2-chlorophenyl)methyl]-3-hydroxy-cyclohex-2-en-1-one 2-[(2-chlorophenyl)methyl]-3-oxidanyl-cyclohex-2-en-1-one
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Formula C13H13ClO2
InChI InChI=1S/C13H13ClO2/c14-11-5-2-1-4-9(11)8-10-12(15)6-3-7-13(10)16/h1-2,4-5,15H,3,6-8H2
InChIKey LRSSCXKWOBMDGO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo3018318
Molecular Weight 236.698 g/mol
SMILES OC1=C(Cc2ccccc2Cl)C(CCC1)=O
SPLASH splash10-0fb9-9150000000-e8782bad21575e6524d5
Source of Spectrum J-77-10203-11b
Wiley ID 1747158