| SpectraBase Compound ID | 16IifRWl2vM |
|---|---|
| InChI | InChI=1S/C13H14N2O2/c1-15-12(8-10-6-4-3-5-7-10)11(9-14-15)13(16)17-2/h3-7,9H,8H2,1-2H3 |
| InChIKey | ACVHHBVUBMPBOE-UHFFFAOYSA-N |
| Mol Weight | 230.27 g/mol |
| Molecular Formula | C13H14N2O2 |
| Exact Mass | 230.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BvPBtaGVQ4R |
|---|---|
| Name | 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(phenylmethyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.105527697 u |
| Formula | C13H14N2O2 |
| InChI | InChI=1S/C13H14N2O2/c1-15-12(8-10-6-4-3-5-7-10)11(9-14-15)13(16)17-2/h3-7,9H,8H2,1-2H3 |
| InChIKey | ACVHHBVUBMPBOE-UHFFFAOYSA-N |
| Molecular Weight | 230.267 g/mol |
| SMILES | C1=C(C=CC=C1)CC=1N(N=CC1C(OC)=O)C |