| SpectraBase Spectrum ID |
C56a5s09rau |
| Name |
Toluene-4-sulfonic acid 4-(5-butyl-3-o-tolyl-3H-1,2,3-triazol-4-yl)-phenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.177312912 u |
| Formula |
C26H27N3O3S |
| InChI |
InChI=1S/C26H27N3O3S/c1-4-5-9-24-26(29(28-27-24)25-10-7-6-8-20(25)3)21-13-15-22(16-14-21)32-33(30,31)23-17-11-19(2)12-18-23/h6-8,10-18H,4-5,9H2,1-3H3 |
| InChIKey |
YDZRQNGXGSVCDR-UHFFFAOYSA-N |
| Molecular Weight |
461.580 g/mol |
| SMILES |
C=1(C=CC(=CC1)S(=O)(=O)OC=1C=CC(=CC1)C=1N(N=NC1CCCC)C=1C(=CC=CC1)C)C |
