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2-(4-bromophenyl)-2-(o-tolylthio)pent-4-enoic acid methyl ester
SpectraBase Compound ID Dv2ZH6pn7yI
InChI InChI=1S/C19H19BrO2S/c1-4-13-19(18(21)22-3,15-9-11-16(20)12-10-15)23-17-8-6-5-7-14(17)2/h4-12H,1,13H2,2-3H3
InChIKey YRQIOLQFZDODAP-UHFFFAOYSA-N
Mol Weight 391.32 g/mol
Molecular Formula C19H19BrO2S
Exact Mass 390.028914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2kHmPb4oNr
Name 2-(4-bromophenyl)-2-(o-tolylthio)pent-4-enoic acid methyl ester
Alternate Name(s) 2-(4-bromophenyl)-2-[(2-methylphenyl)thio]-4-pentenoic acid methyl ester Methyl 2-(4-bromophenyl)-2-(2-methylphenyl)sulfanyl-pent-4-enoate Methyl 2-(4-bromophenyl)-2-(o-tolylsulfanyl)pent-4-enoate
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Formula C19H19BrO2S
InChI InChI=1S/C19H19BrO2S/c1-4-13-19(18(21)22-3,15-9-11-16(20)12-10-15)23-17-8-6-5-7-14(17)2/h4-12H,1,13H2,2-3H3
InChIKey YRQIOLQFZDODAP-UHFFFAOYSA-N
Molecular Weight 391.323 g/mol
SMILES C(C(CC=C)(Sc1c(cccc1)C)c1ccc(cc1)Br)(=O)OC
SPLASH splash10-01di-9870000000-fccc0d7e1bbc7e8b7a47
Source of Spectrum J-67-5624-3
Wiley ID 1570603