| SpectraBase Compound ID | 4RRYHHiikwM |
|---|---|
| InChI | InChI=1S/C12H12N2O2/c1-9-7-8-14(13-9)11-5-3-10(4-6-11)12(15)16-2/h3-8H,1-2H3 |
| InChIKey | SPUDJMQBWHYDPR-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C12H12N2O2 |
| Exact Mass | 216.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOFlcQ19K01 |
|---|---|
| Name | 4-(3-Methyl-1H-pyrazol-1-yl)benzonoesaure-methylester |
| 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/c1-9-7-8-14(13-9)11-5-3-10(4-6-11)12(15)16-2/h3-8H,1-2H3 |
| InChIKey | SPUDJMQBWHYDPR-UHFFFAOYSA-N |
| Molecular Weight | 216.240 g/mol |
| SMILES | C1(=NN(C=C1)C=1C=CC(C(=O)OC)=CC1)C |