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Ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
SpectraBase Compound ID EbhPsStV19b
InChI InChI=1S/C21H20BrNO4S/c1-4-26-21(25)20-15-10-19(27-13(2)24)16(22)11-17(15)23(3)18(20)12-28-14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3
InChIKey PLUCUIPGCPBWEW-UHFFFAOYSA-N
Mol Weight 462.36 g/mol
Molecular Formula C21H20BrNO4S
Exact Mass 461.029642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1utmE69LqfC
Name Ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
CAS Registry Number 141061-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20BrNO4S
InChI InChI=1S/C21H20BrNO4S/c1-4-26-21(25)20-15-10-19(27-13(2)24)16(22)11-17(15)23(3)18(20)12-28-14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3
InChIKey PLUCUIPGCPBWEW-UHFFFAOYSA-N
Molecular Weight 462.358 g/mol
SMILES c1(c([n](C)c2c1cc(c(Br)c2)OC(=O)C)CSc1ccccc1)C(=O)OCC
SPLASH splash10-0udi-1129100000-de6c0c18444936847a0d
Source of Spectrum AD-0-2532-0
Synonyms 5-Acetoxy-6-bromo-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester 5-Acetyloxy-6-bromo-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester Ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Ethyl 5-acetyloxy-6-bromo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Indole-3-carboxylic acid, 5-acetoxy-6-bromo-1-methyl-2-phenylthiomethyl-, ethyl ester
Wiley ID 1432916