| SpectraBase Spectrum ID |
4UJsHAgIKWh |
| Name |
Estr-4-ene-4-fluoro-17.beta.-ol-3-one(17.beta.-acetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.194422889 u |
| Formula |
C20H27FO3 |
| InChI |
InChI=1S/C20H27FO3/c1-11(22)24-18-8-6-16-14-3-4-15-12(5-7-17(23)19(15)21)13(14)9-10-20(16,18)2/h12-14,16,18H,3-10H2,1-2H3 |
| InChIKey |
XUNCQCCPBJKZLI-UHFFFAOYSA-N |
| Molecular Weight |
334.431 g/mol |
| SMILES |
C12=C(C(=O)CCC2C2CCC3(C(C2CC1)CCC3OC(=O)C)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906506 |
