| SpectraBase Spectrum ID |
GKeX7LDyfSf |
| Name |
3-(4,5-Dihydro-5-thioxo-1,3,4-oxadiazol-2-yl)-6-methylquinolin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.041547714 u |
| Formula |
C12H9N3O2S |
| InChI |
InChI=1S/C12H9N3O2S/c1-6-2-3-9-7(4-6)10(16)8(5-13-9)11-14-15-12(18)17-11/h2-5H,1H3,(H,13,16)(H,15,18) |
| InChIKey |
LZTKMIFTJQKTRM-UHFFFAOYSA-N |
| Molecular Weight |
259.283 g/mol |
| SMILES |
C=1(C=2OC(=S)NN2)C(C2=CC(C)=CC=C2NC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972482 |
