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Methyl 6-(Benzylsulfanyl)-4-ethyl-3-hydroxy-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 6TLrP4djw0F
InChI InChI=1S/C23H22O3S/c1-3-17-14-19(27-15-16-10-6-4-7-11-16)20(18-12-8-5-9-13-18)21(22(17)24)23(25)26-2/h4-14,24H,3,15H2,1-2H3
InChIKey FJVNNSUCQIKTIZ-UHFFFAOYSA-N
Mol Weight 378.49 g/mol
Molecular Formula C23H22O3S
Exact Mass 378.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEq6YjCBkkD
Name Methyl 6-(Benzylsulfanyl)-4-ethyl-3-hydroxy-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 6-(benzylthio)-4-ethyl-3-hydroxy-[1,1'-biphenyl]-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O3S
InChI InChI=1S/C23H22O3S/c1-3-17-14-19(27-15-16-10-6-4-7-11-16)20(18-12-8-5-9-13-18)21(22(17)24)23(25)26-2/h4-14,24H,3,15H2,1-2H3
InChIKey FJVNNSUCQIKTIZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900393
Molecular Weight 378.486 g/mol
SMILES Oc1c(C(=O)OC)c(-c2ccccc2)c(SCc2ccccc2)cc1CC
SPLASH splash10-0adl-9700000000-04c47bfa08962d0f577d
Source of Spectrum H-93-1620-5p
Wiley ID 1784066