| SpectraBase Spectrum ID |
HiRMegg9PSf |
| Name |
7-Methyl-2-(phenoxymethyl)-[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 |
273.057197778 u |
| Formula |
C13H11N3O2S |
| InChI |
InChI=1S/C13H11N3O2S/c1-9-7-12(17)16-13(14-9)19-11(15-16)8-18-10-5-3-2-4-6-10/h2-7H,8H2,1H3 |
| InChIKey |
WWHWOALNTBAMSZ-UHFFFAOYSA-N |
| SMILES |
C=12N(N=C(S2)COC2=CC=CC=C2)C(C=C(N1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949191 |
![7-Methyl-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one](/api/spectrum/HiRMegg9PSf/structure.png?h=300&w=458 "7-Methyl-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-one")
