| SpectraBase Spectrum ID |
1Cmzq9dXilc |
| Name |
2-Thioxo-1,3-benzimidazolinedipropionic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.130028366 u |
| Formula |
C17H22N2O4S |
| InChI |
InChI=1S/C17H22N2O4S/c1-3-22-15(20)9-11-18-13-7-5-6-8-14(13)19(17(18)24)12-10-16(21)23-4-2/h5-8H,3-4,9-12H2,1-2H3 |
| InChIKey |
SIRGBMILRSUBQX-UHFFFAOYSA-N |
| Molecular Weight |
350.433 g/mol |
| SMILES |
CCOC(CCN1C=2C=CC=CC2N(C1=S)CCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.936199 |
