| SpectraBase Compound ID | DHIhwP60hhd |
|---|---|
| InChI | InChI=1S/C21H33NO2/c1-4-24-22-19-8-7-17-16-6-5-14-13-15(23)9-11-20(14,2)18(16)10-12-21(17,19)3/h5,15-18,23H,4,6-13H2,1-3H3/b22-19+ |
| InChIKey | YELCKPBOBPBEHL-ZBJSNUHESA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C21H33NO2 |
| Exact Mass | 331.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4CcyKwofd8 |
|---|---|
| Name | Trans-dehydroandrosterone, o-ethyloxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.251129305 u |
| Formula | C21H33NO2 |
| InChI | InChI=1S/C21H33NO2/c1-4-24-22-19-8-7-17-16-6-5-14-13-15(23)9-11-20(14,2)18(16)10-12-21(17,19)3/h5,15-18,23H,4,6-13H2,1-3H3/b22-19+ |
| InChIKey | YELCKPBOBPBEHL-ZBJSNUHESA-N |
| Molecular Weight | 331.500 g/mol |
| SMILES | C12(C(=CCC3C2CCC2(\C(=N\OCC)CCC32)C)CC(CC1)O)C |