| SpectraBase Compound ID | BoNuUCFAPUH |
|---|---|
| InChI | InChI=1S/C19H28O2S/c1-18-7-5-12(20)9-11(18)10-15(22)17-13-3-4-16(21)19(13,2)8-6-14(17)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | OJTCKNIWMKJHRH-LOVVWNRFSA-N |
| Mol Weight | 320.49 g/mol |
| Molecular Formula | C19H28O2S |
| Exact Mass | 320.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EnwP40Np0hk |
|---|---|
| Name | 6.beta.-Thio-testosterone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.181001314 u |
| Formula | C19H28O2S |
| InChI | InChI=1S/C19H28O2S/c1-18-7-5-12(20)9-11(18)10-15(22)17-13-3-4-16(21)19(13,2)8-6-14(17)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1 |
| InChIKey | OJTCKNIWMKJHRH-LOVVWNRFSA-N |
| Molecular Weight | 320.491 g/mol |
| SMILES | [C@@]12(C(=CC(CC2)=O)C[C@@]([C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(O)[H])[H])[H])(S)[H])C |