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1H-Indole-3-carboxylic acid, 2,3-dihydro-1,3-dimethyl-2-[[(4-nitrophenyl)sulfonyl]imino]-, methyl ester
SpectraBase Compound ID FueBD7tdySr
InChI InChI=1S/C18H17N3O6S/c1-18(17(22)27-3)14-6-4-5-7-15(14)20(2)16(18)19-28(25,26)13-10-8-12(9-11-13)21(23)24/h4-11H,1-3H3/b19-16-
InChIKey ANHVDWPNQWIFTO-MNDPQUGUSA-N
Mol Weight 403.41 g/mol
Molecular Formula C18H17N3O6S
Exact Mass 403.083806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tksqxFdggk
Name 1H-Indole-3-carboxylic acid, 2,3-dihydro-1,3-dimethyl-2-[[(4-nitrophenyl)sulfonyl]imino]-, methyl ester
CAS Registry Number 69913-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O6S
InChI InChI=1S/C18H17N3O6S/c1-18(17(22)27-3)14-6-4-5-7-15(14)20(2)16(18)19-28(25,26)13-10-8-12(9-11-13)21(23)24/h4-11H,1-3H3/b19-16-
InChIKey ANHVDWPNQWIFTO-MNDPQUGUSA-N
Molecular Weight 403.409 g/mol
SMILES c1(S(\N=C\2C(c3ccccc3N2C)(C(=O)OC)C)(=O)=O)ccc(N(=O)=O)cc1
SPLASH splash10-0a4j-0920300000-a15b5514cbbf746edfa5
Source of Spectrum KC-1978-1475-0
Synonyms Methyl (2Z)-1,3-dimethyl-2-{[(4-nitrophenyl)sulfonyl]imino}-2,3-dihydro-1H-indole-3-carboxylate Methyl1,3-dimethyl-2-p-nitrophenylsulphonyliminoindoline-3-carboxylate
Wiley ID 1370801