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2-[(3-Chlorophenyl)hydroxymethyl]cyclohex-2-enone
SpectraBase Compound ID 8vr2caxFg3s
InChI InChI=1S/C13H13ClO2/c14-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)15/h3-6,8,13,16H,1-2,7H2
InChIKey MZBSIWOMXOPGOE-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 4aAzuWkXGT5
Name 2-[(3-Chlorophenyl)hydroxymethyl]cyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO2
InChI InChI=1S/C13H13ClO2/c14-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)15/h3-6,8,13,16H,1-2,7H2
InChIKey MZBSIWOMXOPGOE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol7028806
Molecular Weight 236.698 g/mol
SMILES OC(C1=CCCCC1=O)c1cccc(Cl)c1
SPLASH splash10-0f79-0290000000-fb86847e51656e1a4f16
Source of Spectrum A1-10-1043/SMS51-5e
Synonyms 2-((3-chlorophenyl)(hydroxy)methyl)cyclohex-2-enone 2-[(3-chlorophenyl)-hydroxymethyl]-1-cyclohex-2-enone 2-[(3-chlorophenyl)-hydroxymethyl]cyclohex-2-en-1-one 2-[(3-chlorophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one
Wiley ID 1759049