| SpectraBase Compound ID | Hmw8qqwTiES |
|---|---|
| InChI | InChI=1S/C16H14N2O3/c1-11-14(16(19)20-2)15(13-9-6-10-21-13)17-18(11)12-7-4-3-5-8-12/h3-10H,1-2H3 |
| InChIKey | KBYTVLSNAZKSOB-UHFFFAOYSA-N |
| Mol Weight | 282.3 g/mol |
| Molecular Formula | C16H14N2O3 |
| Exact Mass | 282.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SphaPjioap |
|---|---|
| Name | Methyl 3-(furan-2-yl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.100442316 u |
| Formula | C16H14N2O3 |
| InChI | InChI=1S/C16H14N2O3/c1-11-14(16(19)20-2)15(13-9-6-10-21-13)17-18(11)12-7-4-3-5-8-12/h3-10H,1-2H3 |
| InChIKey | KBYTVLSNAZKSOB-UHFFFAOYSA-N |
| Molecular Weight | 282.299 g/mol |
| SMILES | C=1(N(N=C(C1C(OC)=O)C1=CC=CO1)C=1C=CC=CC1)C |