| SpectraBase Spectrum ID |
5uAgqeSkCgg |
| Name |
1-(4-Octylbenzyl)-1H-pyrazole-3-carboxylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.230728212 u |
| Formula |
C21H30N2O2 |
| InChI |
InChI=1S/C21H30N2O2/c1-3-5-6-7-8-9-10-18-11-13-19(14-12-18)17-23-16-15-20(22-23)21(24)25-4-2/h11-16H,3-10,17H2,1-2H3 |
| InChIKey |
UTAQIVYSCNPCBG-UHFFFAOYSA-N |
| Molecular Weight |
342.483 g/mol |
| SMILES |
C1(=NN(C=C1)CC=1C=CC(=CC1)CCCCCCCC)C(=O)OCC |
