![1-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-1H-pyrazole](/api/spectrum/Fj4c2zmEGfk/structure.png?h=300&w=458 "1-[(2E)-3-(3,4-dimethoxyphenyl)-2-propenoyl]-1H-pyrazole")
| SpectraBase Compound ID | Iuw7KDRNxnj |
|---|---|
| InChI | InChI=1S/C14H14N2O3/c1-18-12-6-4-11(10-13(12)19-2)5-7-14(17)16-9-3-8-15-16/h3-10H,1-2H3/b7-5+ |
| InChIKey | NMXXZXMBQNROFI-FNORWQNLSA-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 | Fj4c2zmEGfk |
|---|---|
| Name | 1-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]-1H-pyrazole |
| 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/c1-18-12-6-4-11(10-13(12)19-2)5-7-14(17)16-9-3-8-15-16/h3-10H,1-2H3/b7-5+ |
| InChIKey | NMXXZXMBQNROFI-FNORWQNLSA-N |
| Molecular Weight | 258.277 g/mol |
| SMILES | COC1=CC=C(C=C1OC)\C=C\C(N1N=CC=C1)=O |