![(S)-5-(Benzo[d][1,3]dioxol-5-yl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazole](/api/spectrum/6QirfUK0Kme/structure.png?h=300&w=458 "(S)-5-(Benzo[d][1,3]dioxol-5-yl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazole")
| SpectraBase Compound ID | 4YDFhrdX1DQ |
|---|---|
| InChI | InChI=1S/C17H16N2O2/c1-12-9-15(19(18-12)14-5-3-2-4-6-14)13-7-8-16-17(10-13)21-11-20-16/h2-8,10,15H,9,11H2,1H3/t15-/m0/s1 |
| InChIKey | AVQCIFVFYWZMGT-HNNXBMFYSA-N |
| Mol Weight | 280.33 g/mol |
| Molecular Formula | C17H16N2O2 |
| Exact Mass | 280.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QirfUK0Kme |
|---|---|
| Name | (S)-5-(Benzo[D][1,3]dioxol-5-yl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.121177761 u |
| Formula | C17H16N2O2 |
| InChI | InChI=1S/C17H16N2O2/c1-12-9-15(19(18-12)14-5-3-2-4-6-14)13-7-8-16-17(10-13)21-11-20-16/h2-8,10,15H,9,11H2,1H3/t15-/m0/s1 |
| InChIKey | AVQCIFVFYWZMGT-HNNXBMFYSA-N |
| SMILES | C1(=NN([C@@](C1)(C=1C=C2OCOC2=CC1)[H])C=1C=CC=CC1)C |