| SpectraBase Spectrum ID |
FCXTI7KH2T8 |
| Name |
Benzoic acid, 4-(2-morpholin-4-yl-2-thioxoacetylamino)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.083078173 u |
| Formula |
C14H16N2O4S |
| InChI |
InChI=1S/C14H16N2O4S/c1-19-14(18)10-2-4-11(5-3-10)15-12(17)13(21)16-6-8-20-9-7-16/h2-5H,6-9H2,1H3,(H,15,17) |
| InChIKey |
JDJOILWUQSHIPL-UHFFFAOYSA-N |
| Molecular Weight |
308.352 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC)=O)NC(=O)C(N1CCOCC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896665 |
