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1H-indole-3-carboxylic acid, 5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester
SpectraBase Compound ID B3y3NK6BNFb
InChI InChI=1S/C19H19NO3S/c1-3-23-19(22)18-15-11-13(21)9-10-16(15)20(2)17(18)12-24-14-7-5-4-6-8-14/h4-11,21H,3,12H2,1-2H3
InChIKey RTIBLQQLUBXQDX-UHFFFAOYSA-N
Mol Weight 341.43 g/mol
Molecular Formula C19H19NO3S
Exact Mass 341.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vfc5bvp1Iv
Name 1H-Indole-3-carboxylic acid, 5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO3S
InChI InChI=1S/C19H19NO3S/c1-3-23-19(22)18-15-11-13(21)9-10-16(15)20(2)17(18)12-24-14-7-5-4-6-8-14/h4-11,21H,3,12H2,1-2H3
InChIKey RTIBLQQLUBXQDX-UHFFFAOYSA-N
Molecular Weight 341.425 g/mol
SMILES Oc1cc2c(c([n](C)c2cc1)CSc1ccccc1)C(=O)OCC
SPLASH splash10-0f89-8790000000-125a69ca8238851ca232
Synonyms 5-Hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester 5-Hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Ethyl 1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Ethyl 5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Ethyl 5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Wiley ID 1448974