| SpectraBase Compound ID | 7sMu2KWy62F |
|---|---|
| InChI | InChI=1S/C12H10N2O3/c1-14-11(6-7-13-14)12(16)17-10-4-2-9(8-15)3-5-10/h2-8H,1H3 |
| InChIKey | JSHGEHFISPZXDY-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 | BMptOXZOgtJ |
|---|---|
| Name | 4-Formylphenyl 1-methyl-1H-pyrazole-5-carboxylate |
| 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/c1-14-11(6-7-13-14)12(16)17-10-4-2-9(8-15)3-5-10/h2-8H,1H3 |
| InChIKey | JSHGEHFISPZXDY-UHFFFAOYSA-N |
| Molecular Weight | 230.223 g/mol |
| SMILES | C=1(C(OC2=CC=C(C=O)C=C2)=O)N(N=CC1)C |