| SpectraBase Compound ID | BxJXhLyx3uM |
|---|---|
| InChI | InChI=1S/C13H12N2O2/c1-15-9-10(8-14-15)5-6-13(17)11-3-2-4-12(16)7-11/h2-9,16H,1H3/b6-5+ |
| InChIKey | JZLRXKQHFIGTIR-AATRIKPKSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C13H12N2O2 |
| Exact Mass | 228.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7Fq2hyifz5 |
|---|---|
| Name | 1-(3-Hydroxyphenyl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.089877632 u |
| Formula | C13H12N2O2 |
| InChI | InChI=1S/C13H12N2O2/c1-15-9-10(8-14-15)5-6-13(17)11-3-2-4-12(16)7-11/h2-9,16H,1H3/b6-5+ |
| InChIKey | JZLRXKQHFIGTIR-AATRIKPKSA-N |
| Molecular Weight | 228.251 g/mol |
| SMILES | C1(=CC=CC(=C1)O)C(=O)\C=C\C=1C=NN(C1)C |