| SpectraBase Compound ID | 6AHYa7ozKzK |
|---|---|
| InChI | InChI=1S/C22H29ClO3/c1-13(24)26-22(4)12-8-16-14-5-6-17-19(23)18(25)9-10-20(17,2)15(14)7-11-21(16,22)3/h9-10,14-16H,5-8,11-12H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1 |
| InChIKey | OCRNZVQEFZEIJU-OFUYBIASSA-N |
| Mol Weight | 376.92 g/mol |
| Molecular Formula | C22H29ClO3 |
| Exact Mass | 376.180522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 34eJHWFakhJ |
|---|---|
| Name | Dehydrochloromethyltestosterone ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.180522491 u |
| Formula | C22H29ClO3 |
| InChI | InChI=1S/C22H29ClO3/c1-13(24)26-22(4)12-8-16-14-5-6-17-19(23)18(25)9-10-20(17,2)15(14)7-11-21(16,22)3/h9-10,14-16H,5-8,11-12H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1 |
| InChIKey | OCRNZVQEFZEIJU-OFUYBIASSA-N |
| Molecular Weight | 376.924 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@@]([C@](CC3)(OC(=O)C)C)(CC1)C)[H])(CCC=1[C@@]2(C=CC(C1Cl)=O)C)[H])[H] |