| SpectraBase Compound ID | 2cMQunabWIq |
|---|---|
| InChI | InChI=1S/C13H14N2O2/c1-9-7-10(2)15(14-9)8-11-3-5-12(6-4-11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17) |
| InChIKey | ORMOJZFLVSEQOR-UHFFFAOYSA-N |
| Mol Weight | 230.27 g/mol |
| Molecular Formula | C13H14N2O2 |
| Exact Mass | 230.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J658FBgWr4q |
|---|---|
| Name | Benzoic acid, 4-(3,5-dimethyl-1-pyrazolyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.105527697 u |
| Formula | C13H14N2O2 |
| InChI | InChI=1S/C13H14N2O2/c1-9-7-10(2)15(14-9)8-11-3-5-12(6-4-11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17) |
| InChIKey | ORMOJZFLVSEQOR-UHFFFAOYSA-N |
| Molecular Weight | 230.267 g/mol |
| SMILES | CC=1C=C(C)N(N1)CC1=CC=C(C(=O)O)C=C1 |