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2-Bromo-4-(hexylthio)-6-phenyl-benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

2-Bromo-4-(hexylthio)-6-phenyl-benzoic acid methyl ester
SpectraBase Compound ID EOAbRkGQWhq
InChI InChI=1S/C20H23BrO2S/c1-3-4-5-9-12-24-16-13-17(15-10-7-6-8-11-15)19(18(21)14-16)20(22)23-2/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3
InChIKey FUYVDKJCYXDFND-UHFFFAOYSA-N
Mol Weight 407.37 g/mol
Molecular Formula C20H23BrO2S
Exact Mass 406.060214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gVI5bEungE
Name 2-Bromo-4-(hexylthio)-6-phenyl-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23BrO2S
InChI InChI=1S/C20H23BrO2S/c1-3-4-5-9-12-24-16-13-17(15-10-7-6-8-11-15)19(18(21)14-16)20(22)23-2/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3
InChIKey FUYVDKJCYXDFND-UHFFFAOYSA-N
Molecular Weight 407.366 g/mol
SMILES c1(c(c(cc(c1)SCCCCCC)Br)C(=O)OC)-c1ccccc1
SPLASH splash10-0a4i-0012900000-5ed7f5dc23ca057b8fcc
Source of Spectrum J-64-6188-31
Synonyms Methyl 2-bromanyl-4-hexylsulfanyl-6-phenyl-benzoate Methyl 2-bromo-4-hexylsulfanyl-6-phenyl-benzoate 2-Bromo-4-(hexylthio)-6-phenylbenzoic acid methyl ester
Wiley ID 1530765