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

*Links on SpectraBase are not permalinks.
4-Iodo-2-(toluene-4-sulfonylamino)butyric acid, methyl ester
SpectraBase Compound ID DDzfRpsMMB5
InChI InChI=1S/C12H16INO4S/c1-9-3-5-10(6-4-9)19(16,17)14-11(7-8-13)12(15)18-2/h3-6,11,14H,7-8H2,1-2H3
InChIKey KUOISLGQNLELPA-UHFFFAOYSA-N
Mol Weight 397.23 g/mol
Molecular Formula C12H16INO4S
Exact Mass 396.984474 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 6s4ZAz0mt71
Name 4-IODO-2-(TOLUENE-4-SULFONYLAMINO)-BUTYRIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16NO4SI
InChI InChI=1S/C12H16INO4S/c1-9-3-5-10(6-4-9)19(16,17)14-11(7-8-13)12(15)18-2/h3-6,11,14H,7-8H2,1-2H3
InChIKey KUOISLGQNLELPA-UHFFFAOYSA-N
Molecular Weight 396.9800
SMILES N(C(CCI)C(OC)=O)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-052o-9403000000-b0f25642222fcc802348
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany