| SpectraBase Compound ID | J8bslP0RGve |
|---|---|
| InChI | InChI=1S/C18H16N2O2/c1-13-16(12-17(21)22)18(14-8-4-2-5-9-14)20(19-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,22) |
| InChIKey | GGNXUKNMTXCEDC-UHFFFAOYSA-N |
| Mol Weight | 292.34 g/mol |
| Molecular Formula | C18H16N2O2 |
| Exact Mass | 292.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4Q5IxGd1lS |
|---|---|
| Name | 1H-Pyrazole-4-acetic acid, 3-methyl-1,5-diphenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.121177761 u |
| Formula | C18H16N2O2 |
| InChI | InChI=1S/C18H16N2O2/c1-13-16(12-17(21)22)18(14-8-4-2-5-9-14)20(19-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,21,22) |
| InChIKey | GGNXUKNMTXCEDC-UHFFFAOYSA-N |
| SMILES | C=1(N(N=C(C1CC(=O)O)C)C1=CC=CC=C1)C1=CC=CC=C1 |