| SpectraBase Spectrum ID |
8rsjS7a2u8i |
| Name |
2-Phenyl-5H-1,3,4-thiadiazolo[3,2-A]pyrimidin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.030983030 u |
| Formula |
C11H7N3OS |
| InChI |
InChI=1S/C11H7N3OS/c15-9-6-7-12-11-14(9)13-10(16-11)8-4-2-1-3-5-8/h1-7H |
| InChIKey |
HKAQYKRJIAJUSC-UHFFFAOYSA-N |
| Molecular Weight |
229.257 g/mol |
| SMILES |
C12=NC=CC(N2N=C(S1)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958737 |
![2-Phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one](/api/spectrum/8rsjS7a2u8i/structure.png?h=300&w=458 "2-Phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one")
