| SpectraBase Compound ID | Ey0tXxgW9oW |
|---|---|
| InChI | InChI=1S/C12H12N2O2/c1-9-10(8-14(2)13-9)5-6-11(15)12-4-3-7-16-12/h3-8H,1-2H3/b6-5+ |
| InChIKey | MUVDKQMFWLZZIA-AATRIKPKSA-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 | G8oMVTbbTEG |
|---|---|
| Name | (E)-3-(1,3-Dimethyl-4-pyrazolyl)-1-(2-furanyl)-2-propen-1-one |
| 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/c1-9-10(8-14(2)13-9)5-6-11(15)12-4-3-7-16-12/h3-8H,1-2H3/b6-5+ |
| InChIKey | MUVDKQMFWLZZIA-AATRIKPKSA-N |
| Molecular Weight | 216.240 g/mol |
| SMILES | C=1(OC=CC1)C(=O)\C=C\C=1C(=NN(C1)C)C |