| SpectraBase Spectrum ID |
CIsEMWfqr0Z |
| Name |
2-Thio-5-veratrylidenebarbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.051778044 u |
| Formula |
C13H12N2O4S |
| InChI |
InChI=1S/C13H12N2O4S/c1-18-9-4-3-7(6-10(9)19-2)5-8-11(16)14-13(20)15-12(8)17/h3-6H,1-2H3,(H2,14,15,16,17,20) |
| InChIKey |
RHNGPWBWGMSBFJ-UHFFFAOYSA-N |
| Molecular Weight |
292.309 g/mol |
| SMILES |
N1C(NC(C(C1=O)=CC1=CC=C(C(=C1)OC)OC)=O)=S |
| Spectrum/Structure Validation Score (Raman) |
0.949986 |
