| SpectraBase Compound ID | 9LEGa7r8m1a |
|---|---|
| InChI | InChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | NKTYLFMWIMKAKT-UHFFFAOYSA-N |
| Mol Weight | 168.2 g/mol |
| Molecular Formula | C8H12N2O2 |
| Exact Mass | 168.089878 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 | JWr0nmCrAbq |
|---|---|
| Name | 1H-Pyrazole-4-propanoic acid, 3,5-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.089877632 u |
| Formula | C8H12N2O2 |
| InChI | InChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)(H,11,12) |
| InChIKey | NKTYLFMWIMKAKT-UHFFFAOYSA-N |
| Molecular Weight | 168.196 g/mol |
| SMILES | C1(=C(C(C)=NN1)CCC(O)=O)C |