| SpectraBase Compound ID | 7DnMivh46JA |
|---|---|
| InChI | InChI=1S/C12H10N2O3/c15-8-10-6-14(7-11(16)17)13-12(10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,16,17) |
| InChIKey | ISHHGFBHHJLDAV-UHFFFAOYSA-N |
| Mol Weight | 230.22 g/mol |
| Molecular Formula | C12H10N2O3 |
| Exact Mass | 230.069142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kpwdg6dcTjW |
|---|---|
| Name | (4-Formyl-3-phenyl-1H-pyrazol-1-yl)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.069142187 u |
| Formula | C12H10N2O3 |
| InChI | InChI=1S/C12H10N2O3/c15-8-10-6-14(7-11(16)17)13-12(10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,16,17) |
| InChIKey | ISHHGFBHHJLDAV-UHFFFAOYSA-N |
| Molecular Weight | 230.223 g/mol |
| SMILES | OC(CN1C=C(C(=N1)C=1C=CC=CC1)C=O)=O |