| SpectraBase Spectrum ID |
DZ9sV44UlMr |
| Name |
5-(2-Methylphenoxymethyl)-4-(2-chloro-6-methylphenyl)-1,2,4-triazol-3-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.070261020 u |
| Formula |
C17H16ClN3OS |
| InChI |
InChI=1S/C17H16ClN3OS/c1-11-6-3-4-9-14(11)22-10-15-19-20-17(23)21(15)16-12(2)7-5-8-13(16)18/h3-9H,10H2,1-2H3,(H,20,23) |
| InChIKey |
UECBTZMOPZARCZ-UHFFFAOYSA-N |
| Molecular Weight |
345.848 g/mol |
| SMILES |
C1(N(C(=NN1)COC=1C(C)=CC=CC1)C=1C(Cl)=CC=CC1C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933569 |
