| SpectraBase Spectrum ID |
FC4KZz2pcCb |
| Name |
4-Chloro-17.alpha.-methyltestosterone, o-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.196172555 u |
| Formula |
C22H31ClO3 |
| InChI |
InChI=1S/C22H31ClO3/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/h14-16H,5-12H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1 |
| InChIKey |
SEFDQZFGEWFEPW-OFUYBIASSA-N |
| Molecular Weight |
378.940 g/mol |
| SMILES |
C1(CC[C@@]2(C)C(=C1Cl)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(=O)C)C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84064 |
