| SpectraBase Spectrum ID |
7vW1z14tTHv |
| Name |
{[4-Butyl-5-(p-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.114712655 u |
| Formula |
C15H19N3O3S |
| InChI |
InChI=1S/C15H19N3O3S/c1-3-4-9-18-14(11-5-7-12(21-2)8-6-11)16-17-15(18)22-10-13(19)20/h5-8H,3-4,9-10H2,1-2H3,(H,19,20) |
| InChIKey |
KKVVKACHSDCFQE-UHFFFAOYSA-N |
| Molecular Weight |
321.395 g/mol |
| SMILES |
OC(=O)CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)CCCC |
![{[4-Butyl-5-(p-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid](/api/spectrum/7vW1z14tTHv/structure.png?h=300&w=458 "{[4-Butyl-5-(p-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid")
