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4-(4-Cyclohexyl-phenylsulfanylmethyl)-benzoic acid

View entire compound with spectra: 1 MS (GC)

4-(4-Cyclohexyl-phenylsulfanylmethyl)-benzoic acid
SpectraBase Compound ID G4vcePLmb6r
InChI InChI=1S/C20H22O2S/c21-20(22)18-8-6-15(7-9-18)14-23-19-12-10-17(11-13-19)16-4-2-1-3-5-16/h6-13,16H,1-5,14H2,(H,21,22)
InChIKey FTZNHFQPNRQEGN-UHFFFAOYSA-N
Mol Weight 326.45 g/mol
Molecular Formula C20H22O2S
Exact Mass 326.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gcbRwY6roA
Name 4-(4-Cyclohexyl-phenylsulfanylmethyl)-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O2S
InChI InChI=1S/C20H22O2S/c21-20(22)18-8-6-15(7-9-18)14-23-19-12-10-17(11-13-19)16-4-2-1-3-5-16/h6-13,16H,1-5,14H2,(H,21,22)
InChIKey FTZNHFQPNRQEGN-UHFFFAOYSA-N
Molecular Weight 326.454 g/mol
SMILES OC(c1ccc(CSc2ccc(cc2)C2CCCCC2)cc1)=O
SPLASH splash10-000i-3901000000-7f12fa89dd5859eb06f8
Synonyms 4-[[(4-cyclohexylphenyl)thio]methyl]benzoic acid
Wiley ID 1453983