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2-[(4-Fluorophenyl)hydroxymethyl]cyclohex-2-enone
SpectraBase Compound ID Fh0ev7ZCBqC
InChI InChI=1S/C13H13FO2/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 MSRQKLMVJFOOMK-UHFFFAOYSA-N
Mol Weight 220.24 g/mol
Molecular Formula C13H13FO2
Exact Mass 220.089958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lmlmmqIZCS
Name 2-[(4-Fluorophenyl)hydroxymethyl]cyclohex-2-enone
Alternate Name(s) 2-((4-fluorophenyl)(hydroxy)methyl)cyclohex-2-enone 2-[(4-fluorophenyl)-hydroxymethyl]-1-cyclohex-2-enone 2-[(4-fluorophenyl)-hydroxymethyl]cyclohex-2-en-1-one 2-[(4-fluorophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one
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Formula C13H13FO2
InChI InChI=1S/C13H13FO2/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 MSRQKLMVJFOOMK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol7028806
Molecular Weight 220.243 g/mol
SMILES OC(C1=CCCCC1=O)c1ccc(cc1)F
SPLASH splash10-00xs-0590000000-76cf384d99cea320caf7
Source of Spectrum A1-10-1043/SMS75-5k
Wiley ID 1759052