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Methyl 4-Decyl-6-[(4-fluorophenyl)sulfanyl]-3-hydroxy-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 6wEvOjKZrk9
InChI InChI=1S/C30H35FO3S/c1-3-4-5-6-7-8-9-11-16-23-21-26(35-25-19-17-24(31)18-20-25)27(22-14-12-10-13-15-22)28(29(23)32)30(33)34-2/h10,12-15,17-21,32H,3-9,11,16H2,1-2H3
InChIKey AVTUYOGGEWKGPF-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C30H35FO3S
Exact Mass 494.229094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14qqfEjero
Name Methyl 4-Decyl-6-[(4-fluorophenyl)sulfanyl]-3-hydroxy-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 4-decyl-6-((4-fluorophenyl)thio)-3-hydroxy-[1,1'-biphenyl]-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H35FO3S
InChI InChI=1S/C30H35FO3S/c1-3-4-5-6-7-8-9-11-16-23-21-26(35-25-19-17-24(31)18-20-25)27(22-14-12-10-13-15-22)28(29(23)32)30(33)34-2/h10,12-15,17-21,32H,3-9,11,16H2,1-2H3
InChIKey AVTUYOGGEWKGPF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900393
Molecular Weight 494.665 g/mol
SMILES Oc1c(C(=O)OC)c(-c2ccccc2)c(Sc2ccc(cc2)F)cc1CCCCCCCCCC
SPLASH splash10-06r6-0041900000-847886c0ecae114263d3
Source of Spectrum H-93-1618-5h
Wiley ID 1784058