For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 1-(2-benzylsulfonylethyl)-5-methoxy-3-methylindole-2-carboxylate
SpectraBase Compound ID 3GSD7JnkaWH
InChI InChI=1S/C21H23NO5S/c1-15-18-13-17(26-2)9-10-19(18)22(20(15)21(23)27-3)11-12-28(24,25)14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChIKey XHHXSNWAAMCKSA-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9FZJn8ABaAd
Name Methyl 1-(2-benzylsulfonylethyl)-5-methoxy-3-methylindole-2-carboxylate
Alternate Name(s) 5-Methoxy-3-methyl-1-[2-(phenylmethyl)sulfonylethyl]-2-indolecarboxylic acid methyl ester Methyl 1-(2-benzylsulfonylethyl)-5-methoxy-3-methyl-indole-2-carboxylate Methyl 5-methoxy-3-methyl-1-[2-(phenylmethyl)sulfonylethyl]indole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-15-18-13-17(26-2)9-10-19(18)22(20(15)21(23)27-3)11-12-28(24,25)14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChIKey XHHXSNWAAMCKSA-UHFFFAOYSA-N
Molecular Weight 401.477 g/mol
SMILES c1([n](c2ccc(cc2c1C)OC)CCS(=O)(=O)Cc1ccccc1)C(=O)OC
SPLASH splash10-0udj-0390700000-34dc0cd08f711ce72b42
Source of Spectrum K-2002-1685-11
Wiley ID 1612916