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1H-Indole-5-carboxylic acid, 1-acetyl-2-[(methylsulfonyl)methyl]-, methyl ester
SpectraBase Compound ID IlSXxhAceSx
InChI InChI=1S/C14H15NO5S/c1-9(16)15-12(8-21(3,18)19)7-11-6-10(14(17)20-2)4-5-13(11)15/h4-7H,8H2,1-3H3
InChIKey OQOYDUFXYBRPBY-UHFFFAOYSA-N
Mol Weight 309.34 g/mol
Molecular Formula C14H15NO5S
Exact Mass 309.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8x2kx2RgViV
Name 1H-Indole-5-carboxylic acid, 1-acetyl-2-[(methylsulfonyl)methyl]-, methyl ester
Alternate Name(s) 1-Acetyl-2-(methylsulfonyl)methylindol-5-carbonsaure-methylester Methyl 1-acetyl-2-[(methylsulfonyl)methyl]-1H-indole-5-carboxylate
CAS Registry Number 104737-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO5S
InChI InChI=1S/C14H15NO5S/c1-9(16)15-12(8-21(3,18)19)7-11-6-10(14(17)20-2)4-5-13(11)15/h4-7H,8H2,1-3H3
InChIKey OQOYDUFXYBRPBY-UHFFFAOYSA-N
Molecular Weight 309.336 g/mol
SMILES c1([n](c2c(c1)cc(cc2)C(=O)OC)C(=O)C)CS(=O)(=O)C
SPLASH splash10-000i-0930000000-4dbdd4c79982d9a8b172
Source of Spectrum H-68-1841-6
Wiley ID 1310502