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2-[(4-chlorophenyl)-hydroxy-methyl]cyclohex-2-en-1-one
SpectraBase Compound ID 3SExK01WcnO
InChI InChI=1S/C13H13ClO2/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h3,5-8,13,16H,1-2,4H2
InChIKey LGOVISIADUTJQV-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 34SJ1vPjLaD
Name 2-[(4-chlorophenyl)-hydroxy-methyl]cyclohex-2-en-1-one
Alternate Name(s) 2-[(4-chlorophenyl)-hydroxymethyl]-1-cyclohex-2-enone 2-[(4-chlorophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H13ClO2
InChI InChI=1S/C13H13ClO2/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h3,5-8,13,16H,1-2,4H2
InChIKey LGOVISIADUTJQV-UHFFFAOYSA-N
Molecular Weight 236.698 g/mol
SMILES OC(C=1C(=O)CCCC1)c1ccc(cc1)Cl
SPLASH splash10-000i-0090000000-d025a5e8e6da6b52907d
Source of Spectrum F-54-11822-28
Wiley ID 809063