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Methyl 4-Decyl-3-hydroxy-6-(phenylsulfanyl)-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 2LZKEDTpN7z
InChI InChI=1S/C30H36O3S/c1-3-4-5-6-7-8-9-12-19-24-22-26(34-25-20-15-11-16-21-25)27(23-17-13-10-14-18-23)28(29(24)31)30(32)33-2/h10-11,13-18,20-22,31H,3-9,12,19H2,1-2H3
InChIKey YCBYZZSGJMWWEJ-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C30H36O3S
Exact Mass 476.238516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e4UBZNWXKt
Name Methyl 4-Decyl-3-hydroxy-6-(phenylsulfanyl)-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 4-decyl-3-hydroxy-6-(phenylthio)-[1,1'-biphenyl]-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36O3S
InChI InChI=1S/C30H36O3S/c1-3-4-5-6-7-8-9-12-19-24-22-26(34-25-20-15-11-16-21-25)27(23-17-13-10-14-18-23)28(29(24)31)30(32)33-2/h10-11,13-18,20-22,31H,3-9,12,19H2,1-2H3
InChIKey YCBYZZSGJMWWEJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900393
Molecular Weight 476.675 g/mol
SMILES Oc1c(C(=O)OC)c(-c2ccccc2)c(Sc2ccccc2)cc1CCCCCCCCCC
SPLASH splash10-0j4r-0359100000-ba3a12fa7afefe451fcf
Source of Spectrum H-93-1617-5d
Wiley ID 1784054