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2-Cyclohexen-1-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethyl-
SpectraBase Compound ID HgDywWrKziT
InChI InChI=1S/C16H17ClO3/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(17)6-4-10/h3-6,19H,7-9H2,1-2H3
InChIKey PCNPUPUGQVAPGB-UHFFFAOYSA-N
Mol Weight 292.76 g/mol
Molecular Formula C16H17ClO3
Exact Mass 292.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGrvVCOLiJm
Name 2-Cyclohexen-1-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethyl-
Alternate Name(s) 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one
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Formula C16H17ClO3
InChI InChI=1S/C16H17ClO3/c1-16(2)8-14(19)12(15(20)9-16)7-13(18)10-3-5-11(17)6-4-10/h3-6,19H,7-9H2,1-2H3
InChIKey PCNPUPUGQVAPGB-UHFFFAOYSA-N
Molecular Weight 292.762 g/mol
SMILES OC1=C(CC(c2ccc(cc2)Cl)=O)C(=O)CC(C)(C)C1
SPLASH splash10-000f-2940000000-c01e9192a9f5e3e41c96
Source of Spectrum IY-2-4729-2
Wiley ID 1655275