| SpectraBase Compound ID | AhqV69jasOJ |
|---|---|
| InChI | InChI=1S/C20H25ClO/c1-12-4-6-14-13-5-7-16-18(21)17(22)9-11-20(16,3)15(13)8-10-19(12,14)2/h9,11,13-15H,1,4-8,10H2,2-3H3/t13-,14-,15-,19+,20+/m0/s1 |
| InChIKey | LNWNMYQWSWJWTQ-PSYRKBHYSA-N |
| Mol Weight | 316.87 g/mol |
| Molecular Formula | C20H25ClO |
| Exact Mass | 316.159393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DT3AzeacPnP |
|---|---|
| Name | Dehydrochloromethyltestosterone-A (-H2O) ii |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.159393124 u |
| Formula | C20H25ClO |
| InChI | InChI=1S/C20H25ClO/c1-12-4-6-14-13-5-7-16-18(21)17(22)9-11-20(16,3)15(13)8-10-19(12,14)2/h9,11,13-15H,1,4-8,10H2,2-3H3/t13-,14-,15-,19+,20+/m0/s1 |
| InChIKey | LNWNMYQWSWJWTQ-PSYRKBHYSA-N |
| Molecular Weight | 316.872 g/mol |
| SMILES | [C@@]12([C@@]([C@@]3(C(=C(C(C=C3)=O)Cl)CC1)C)(CC[C@]1([C@]2(CCC1=C)[H])C)[H])[H] |