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

*Links on SpectraBase are not permalinks.
4-Thiazolidinecarboxylic acid, 3-(2,6-dinitrophenyl)-, methyl ester
SpectraBase Compound ID 3oE8KeVZaxH
InChI InChI=1S/C11H11N3O6S/c1-20-11(15)9-5-21-6-12(9)10-7(13(16)17)3-2-4-8(10)14(18)19/h2-4,9H,5-6H2,1H3
InChIKey KDMYCLXSXNRWPB-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C11H11N3O6S
Exact Mass 313.036856 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 76ctLPdSG0j
Name 4-Thiazolidinecarboxylic acid, 3-(2,6-dinitrophenyl)-, methyl ester
CAS Registry Number 89860-83-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O6S
InChI InChI=1S/C11H11N3O6S/c1-20-11(15)9-5-21-6-12(9)10-7(13(16)17)3-2-4-8(10)14(18)19/h2-4,9H,5-6H2,1H3
InChIKey KDMYCLXSXNRWPB-UHFFFAOYSA-N
Molecular Weight 313.284 g/mol
SMILES c1(N2C(C(=O)OC)CSC2)c(N(=O)=O)cccc1N(=O)=O
SPLASH splash10-0udi-0091000000-98c8cd8dc3622c8254bd
Source of Spectrum Y-20-1515-0
Synonyms 3-(2,6-dinitrophenyl)-4-thiazolidinecarboxylic acid methyl ester 3-(2,6-dinitrophenyl)thiazolidine-4-carboxylic acid methyl ester methyl 3-(2,6-dinitrophenyl)-1,3-thiazolidine-4-carboxylate methyl 3-(2,6-dinitrophenyl)thiazolidine-4-carboxylate
Wiley ID 1314025