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1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, methyl ester
SpectraBase Compound ID 8SGN4H8HwpW
InChI InChI=1S/C16H13NO4S/c1-21-16(18)14-11-17(15-10-6-5-9-13(14)15)22(19,20)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey UAGHFCKWEMUQTN-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C16H13NO4S
Exact Mass 315.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J47X3RZz6iQ
Name 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-, methyl ester
CAS Registry Number 116325-17-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO4S
InChI InChI=1S/C16H13NO4S/c1-21-16(18)14-11-17(15-10-6-5-9-13(14)15)22(19,20)12-7-3-2-4-8-12/h2-11H,1H3
InChIKey UAGHFCKWEMUQTN-UHFFFAOYSA-N
Molecular Weight 315.343 g/mol
SMILES c1(S([n]2cc(C(=O)OC)c3c2cccc3)(=O)=O)ccccc1
SPLASH splash10-004l-9704000000-cedefe16a0fbb45b7763
Source of Spectrum C-110-7191-13
Synonyms 1-(benzenesulfonyl)-3-indolecarboxylic acid methyl ester 1-besylindole-3-carboxylic acid methyl ester Methyl 1-(benzenesulfonyl)indole-3-carboxylate Methyl 1-(phenylsulfonyl)-1H-indole-3-carboxylate Methyl 1-(phenylsulfonyl)indole-3-carboxylate
Wiley ID 1315902