| SpectraBase Spectrum ID |
HLTsfnZBEYV |
| Name |
4-Thiazolidinecarboxylic acid, 3-(2,4-dinitrophenyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.036856254 u |
| Formula |
C11H11N3O6S |
| InChI |
InChI=1S/C11H11N3O6S/c1-20-11(15)10-5-21-6-12(10)8-3-2-7(13(16)17)4-9(8)14(18)19/h2-4,10H,5-6H2,1H3 |
| InChIKey |
JHBXYAFQTHKOEJ-UHFFFAOYSA-N |
| Molecular Weight |
313.284 g/mol |
| SMILES |
C=1(N(=O)=O)C(N2C(C(=O)OC)CSC2)=CC=C(N(=O)=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815268 |
