| SpectraBase Spectrum ID |
IdXyINBnH8Z |
| Name |
Pyrazole-3-carboxylic acid, 1-(3-chloro-2-cyanophenyl)-5-methyl-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.061804336 u |
| Formula |
C14H12ClN3O2 |
| InChI |
InChI=1S/C14H12ClN3O2/c1-3-20-14(19)12-7-9(2)18(17-12)13-6-4-5-11(15)10(13)8-16/h4-7H,3H2,1-2H3 |
| InChIKey |
PNLNUGALWOGMKV-UHFFFAOYSA-N |
| Molecular Weight |
289.722 g/mol |
| SMILES |
CCOC(C1=NN(C2=C(C#N)C(=CC=C2)Cl)C(=C1)C)=O |
