| SpectraBase Compound ID | DFey9l41rkT |
|---|---|
| InChI | InChI=1S/C17H15ClN2O/c1-20-17(13-6-4-3-5-7-13)15(18)16(19-20)12-8-10-14(21-2)11-9-12/h3-11H,1-2H3 |
| InChIKey | LSYASENEJRSXNT-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C17H15ClN2O |
| Exact Mass | 298.087291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Pd7hLmFFHv |
|---|---|
| Name | 4-Chloro-3-(4-methoxyphenyl)-1-methyl-5-phenyl-1H-pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.087290810 u |
| Formula | C17H15ClN2O |
| InChI | InChI=1S/C17H15ClN2O/c1-20-17(13-6-4-3-5-7-13)15(18)16(19-20)12-8-10-14(21-2)11-9-12/h3-11H,1-2H3 |
| InChIKey | LSYASENEJRSXNT-UHFFFAOYSA-N |
| SMILES | CN1N=C(C(=C1C=1C=CC=CC1)Cl)C1=CC=C(C=C1)OC |