| SpectraBase Compound ID | GHDqrRmPUWO |
|---|---|
| InChI | InChI=1S/C21H31ClO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3 |
| InChIKey | OIDXWRLKJLJKRZ-UHFFFAOYSA-N |
| Mol Weight | 334.93 g/mol |
| Molecular Formula | C21H31ClO |
| Exact Mass | 334.206343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMLqIiZHyu6 |
|---|---|
| Name | 5-Pregnen-3-chloro-20-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.206343317 u |
| Formula | C21H31ClO |
| InChI | InChI=1S/C21H31ClO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3 |
| InChIKey | OIDXWRLKJLJKRZ-UHFFFAOYSA-N |
| Molecular Weight | 334.931 g/mol |
| SMILES | C1(CC=2C(CC1)(C1CCC3(C(C(C)=O)CCC3C1CC2)C)C)Cl |