| SpectraBase Spectrum ID |
8exSI2g25Q7 |
| Name |
5-Methyl-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 |
364.145678431 u |
| Formula |
C18H24N2O4S |
| InChI |
InChI=1S/C18H24N2O4S/c1-4-23-16(21)8-10-19-14-7-6-13(3)12-15(14)20(18(19)25)11-9-17(22)24-5-2/h6-7,12H,4-5,8-11H2,1-3H3 |
| InChIKey |
AGIDVZLHNYHUCG-UHFFFAOYSA-N |
| Molecular Weight |
364.460 g/mol |
| SMILES |
CCOC(CCN1C=2C=C(C=CC2N(C1=S)CCC(OCC)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.877568 |
