| SpectraBase Compound ID | HBOZDWcwxMb |
|---|---|
| InChI | InChI=1S/C23H33NO2/c1-5-23(25)14-11-20-18-8-7-16-15-17(24-26-6-2)9-12-21(16,3)19(18)10-13-22(20,23)4/h1,15,18-20,25H,6-14H2,2-4H3/b24-17+ |
| InChIKey | IHOQIMUXPOBVIV-JJIBRWJFSA-N |
| Mol Weight | 355.5 g/mol |
| Molecular Formula | C23H33NO2 |
| Exact Mass | 355.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AdIqCIOE2L |
|---|---|
| Name | Ethisterone, o-ethyloxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.251129305 u |
| Formula | C23H33NO2 |
| InChI | InChI=1S/C23H33NO2/c1-5-23(25)14-11-20-18-8-7-16-15-17(24-26-6-2)9-12-21(16,3)19(18)10-13-22(20,23)4/h1,15,18-20,25H,6-14H2,2-4H3/b24-17+ |
| InChIKey | IHOQIMUXPOBVIV-JJIBRWJFSA-N |
| Molecular Weight | 355.522 g/mol |
| SMILES | C12(CC\C(C=C2CCC2C1CCC1(C2CCC1(O)C#C)C)=N/OCC)C |