| SpectraBase Compound ID | 8VCJGfGP07U |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c1-9-8-11(12(15)16-2)14(13-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3 |
| InChIKey | KKPAWKXRVCUMKA-UHFFFAOYSA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IgnDSs6t0bQ |
|---|---|
| Name | Methyl ester of 4,5-dihydro-3-methyl-1-phenyl-1H-pyrazole-5-carboxylic |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.105527697 u |
| Formula | C12H14N2O2 |
| InChI | InChI=1S/C12H14N2O2/c1-9-8-11(12(15)16-2)14(13-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3 |
| InChIKey | KKPAWKXRVCUMKA-UHFFFAOYSA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | C1(N(N=C(C1)C)C1=CC=CC=C1)C(=O)OC |