| SpectraBase Compound ID | HAm9aLWRDth |
|---|---|
| InChI | InChI=1S/C14H14N2O2/c1-10-13(8-9-14(17)18)11(2)16(15-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18)/b9-8+ |
| InChIKey | KORDNSZOFTZOCA-CMDGGOBGSA-N |
| Mol Weight | 242.28 g/mol |
| Molecular Formula | C14H14N2O2 |
| Exact Mass | 242.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4J83XYRmHwF |
|---|---|
| Name | Propenoic acid, 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.105527697 u |
| Formula | C14H14N2O2 |
| InChI | InChI=1S/C14H14N2O2/c1-10-13(8-9-14(17)18)11(2)16(15-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18)/b9-8+ |
| InChIKey | KORDNSZOFTZOCA-CMDGGOBGSA-N |
| Molecular Weight | 242.278 g/mol |
| SMILES | C1=CC=C(C=C1)N1C(=C(\C=C\C(=O)O)C(=N1)C)C |