| SpectraBase Compound ID | 4nPYFurfZ0b |
|---|---|
| InChI | InChI=1S/C12H12N2O2/c15-12(16)11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16) |
| InChIKey | HHEBXMNODWRUEV-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C12H12N2O2 |
| Exact Mass | 216.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9zoh9ikyWxF |
|---|---|
| Name | 5-(2-Phenylethyl)-1H-pyrazole-3-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.089877632 u |
| Formula | C12H12N2O2 |
| InChI | InChI=1S/C12H12N2O2/c15-12(16)11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16) |
| InChIKey | HHEBXMNODWRUEV-UHFFFAOYSA-N |
| Molecular Weight | 216.240 g/mol |
| SMILES | C(CC1=CC=CC=C1)C1=CC(C(O)=O)=NN1 |