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5-Acetoxy-6-bromo-1-methyl-2-[(p-tolylthio)methyl]indole-3-carboxylic acid ethyl ester
SpectraBase Compound ID D2dbn6JSHjt
InChI InChI=1S/C22H22BrNO4S/c1-5-27-22(26)21-16-10-20(28-14(3)25)17(23)11-18(16)24(4)19(21)12-29-15-8-6-13(2)7-9-15/h6-11H,5,12H2,1-4H3
InChIKey NTBRBRYSWHMBTI-UHFFFAOYSA-N
Mol Weight 476.39 g/mol
Molecular Formula C22H22BrNO4S
Exact Mass 475.045292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4huUtUUiqe
Name 5-Acetoxy-6-bromo-1-methyl-2-[(p-tolylthio)methyl]indole-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22BrNO4S
InChI InChI=1S/C22H22BrNO4S/c1-5-27-22(26)21-16-10-20(28-14(3)25)17(23)11-18(16)24(4)19(21)12-29-15-8-6-13(2)7-9-15/h6-11H,5,12H2,1-4H3
InChIKey NTBRBRYSWHMBTI-UHFFFAOYSA-N
Molecular Weight 476.385 g/mol
SMILES c1(c([n](C)c2c1cc(c(Br)c2)OC(=O)C)CSc1ccc(cc1)C)C(=O)OCC
SPLASH splash10-0udi-0029200000-7a4b0a424a9ea9f74516
Synonyms 5-Acetyloxy-6-bromo-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester Ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-1H-indole-3-carboxylate Ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylsulfanylmethyl)indole-3-carboxylate Ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[(4-methylphenyl)sulfanylmethyl]indole-3-carboxylate Ethyl 5-acetyloxy-6-bromo-1-methyl-2-[(4-methylphenyl)sulfanylmethyl]indole-3-carboxylate
Wiley ID 1436617