| SpectraBase Compound ID | CHaFCfWQ4mz |
|---|---|
| InChI | InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+ |
| InChIKey | GKIRPKYJQBWNGO-OCEACIFDSA-N |
| Mol Weight | 405.97 g/mol |
| Molecular Formula | C26H28ClNO |
| Exact Mass | 405.185942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gi9kFRdWMab |
|---|---|
| Name | Clomiphene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 405.185942225 u |
| Formula | C26H28ClNO |
| InChI | InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+ |
| InChIKey | GKIRPKYJQBWNGO-OCEACIFDSA-N |
| Molecular Weight | 405.969 g/mol |
| SMILES | C=1C(=CC=C(C1)OCCN(CC)CC)\C(=C/(Cl)C=1C=CC=CC1)C=1C=CC=CC1 |