| SpectraBase Spectrum ID |
4UwK429QyQT |
| Name |
1,2,4-Triazole-3(2H)-thione, 5-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.088497907 u |
| Formula |
C16H15N3O2S |
| InChI |
InChI=1S/C16H15N3O2S/c1-20-13-9-8-11(10-14(13)21-2)15-17-18-16(22)19(15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,22) |
| InChIKey |
VWQIHWAMQDBWDM-UHFFFAOYSA-N |
| Molecular Weight |
313.375 g/mol |
| SMILES |
C1=CC=C(N2C(=NNC2=S)C2=CC(OC)=C(C=C2)OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845069 |
