| SpectraBase Spectrum ID |
7I5jqxon2m9 |
| Name |
1,3-Diphenyl-2-thiobarbituric acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.061948806 u |
| Formula |
C16H12N2O2S |
| InChI |
InChI=1S/C16H12N2O2S/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey |
ZFIMUSUHAOSEIE-UHFFFAOYSA-N |
| Molecular Weight |
296.344 g/mol |
| SMILES |
C1(N(C(=O)CC(N1C=1C=CC=CC1)=O)C1=CC=CC=C1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.933073 |
