| SpectraBase Compound ID | EYQDFHbRKrg |
|---|---|
| InChI | InChI=1S/C14H14N2O3/c1-9-12(14(18)19-3)13(10(2)17)15-16(9)11-7-5-4-6-8-11/h4-8H,1-3H3 |
| InChIKey | UDPQANKSFIXRSH-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C14H14N2O3 |
| Exact Mass | 258.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uAot5tz0X |
|---|---|
| Name | Methyl 3-acetyl-5-methyl-1-phenylpyrazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.100442316 u |
| Formula | C14H14N2O3 |
| InChI | InChI=1S/C14H14N2O3/c1-9-12(14(18)19-3)13(10(2)17)15-16(9)11-7-5-4-6-8-11/h4-8H,1-3H3 |
| InChIKey | UDPQANKSFIXRSH-UHFFFAOYSA-N |
| SMILES | C=1(C(=NN(C1C)C=1C=CC=CC1)C(=O)C)C(=O)OC |