| SpectraBase Spectrum ID |
3wn5hnWa81F |
| Name |
6.beta.-Hydroxy-oral turinabol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.164872426 u |
| Formula |
C20H27ClO3 |
| InChI |
InChI=1S/C20H27ClO3/c1-18-7-6-14(22)17(21)16(18)15(23)10-11-12(18)4-8-19(2)13(11)5-9-20(19,3)24/h6-7,11-13,15,23-24H,4-5,8-10H2,1-3H3 |
| InChIKey |
WGVLKKXLCOUHPO-UHFFFAOYSA-N |
| Molecular Weight |
350.886 g/mol |
| SMILES |
CC12C3C(C4C(CC3)(C)C(C)(O)CC4)CC(C2=C(Cl)C(C=C1)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813389 |
