| SpectraBase Spectrum ID |
I3vOYnLfIwe |
| Name |
4-(4-Chlorobenzoyl)-5-methylthio-1H-1,2,3-triazole |
| Alternate Name(s) |
(4-chlorophenyl)[5-(methylsulfanyl)-1H-1,2,3-triazol-4-yl]methanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H8ClN3OS |
| InChI |
InChI=1S/C10H8ClN3OS/c1-16-10-8(12-14-13-10)9(15)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,12,13,14) |
| InChIKey |
PDAHZBXSPUILKJ-UHFFFAOYSA-N |
| Molecular Weight |
253.707 g/mol |
| SMILES |
[nH]1c(c(nn1)C(c1ccc(cc1)Cl)=O)SC |
| SPLASH |
splash10-0udi-0090000000-adb31fa25ee54a2e0770 |
| Source of Spectrum |
SO-0-453-3 |
| Wiley ID |
1540021 |
