| SpectraBase Compound ID | HeuJNoZwJ5i |
|---|---|
| InChI | InChI=1S/C20H29NO/c1-19-10-4-5-17(19)16-7-6-14-13-15(21-22-3)8-12-20(14,2)18(16)9-11-19/h4,10,13,16-18H,5-9,11-12H2,1-3H3/b21-15+/t16?,17?,18?,19-,20-/m0/s1 |
| InChIKey | DQHCOGMUFJPANV-JLPRRZSPSA-N |
| Mol Weight | 299.46 g/mol |
| Molecular Formula | C20H29NO |
| Exact Mass | 299.224915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrhvporadTm |
|---|---|
| Name | 4,16-Androstadien-3-one-methoxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.224914557 u |
| Formula | C20H29NO |
| InChI | InChI=1S/C20H29NO/c1-19-10-4-5-17(19)16-7-6-14-13-15(21-22-3)8-12-20(14,2)18(16)9-11-19/h4,10,13,16-18H,5-9,11-12H2,1-3H3/b21-15+/t16?,17?,18?,19-,20-/m0/s1 |
| InChIKey | DQHCOGMUFJPANV-JLPRRZSPSA-N |
| SMILES | [C@@]12(C(=C\C(CC2)=N\OC)CCC2C1CC[C@@]1(C=CCC21)C)C |