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1H-Indole-3-carboxylic acid, 2-methyl-1-[(4-methylphenyl)sulfonyl]-, ethyl ester
SpectraBase Compound ID 4Hg4I1NSaKA
InChI InChI=1S/C19H19NO4S/c1-4-24-19(21)18-14(3)20(17-8-6-5-7-16(17)18)25(22,23)15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3
InChIKey LTROVKGSUFWHLM-UHFFFAOYSA-N
Mol Weight 357.42 g/mol
Molecular Formula C19H19NO4S
Exact Mass 357.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8t0vsPy46Nn
Name 1H-Indole-3-carboxylic acid, 2-methyl-1-[(4-methylphenyl)sulfonyl]-, ethyl ester
Alternate Name(s) Ethyl 1-(p-tolylsulfonyl)-2-methylindole-3-carboxylate Ethyl 2-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indole-3-carboxylate
CAS Registry Number 122946-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO4S
InChI InChI=1S/C19H19NO4S/c1-4-24-19(21)18-14(3)20(17-8-6-5-7-16(17)18)25(22,23)15-11-9-13(2)10-12-15/h5-12H,4H2,1-3H3
InChIKey LTROVKGSUFWHLM-UHFFFAOYSA-N
Molecular Weight 357.424 g/mol
SMILES c1(S([n]2c(c(C(=O)OCC)c3c2cccc3)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0a4l-4912000000-9d70e2a6dbe1c0a0d16e
Source of Spectrum J-54-4789-3
Wiley ID 1346428