| SpectraBase Spectrum ID |
6e2zZFMIGT7 |
| Name |
[1R-[1.beta.(1R*,4R*),3A.alpha.,7A.beta.)]]-1-(4-fluoro-5-hydroxy-1,5-dimethylhexyl)octahydro-7A-methyl-4H-inden-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.230808399 u |
| Formula |
C18H31FO2 |
| InChI |
InChI=1S/C18H31FO2/c1-12(7-10-16(19)17(2,3)21)13-8-9-14-15(20)6-5-11-18(13,14)4/h12-14,16,21H,5-11H2,1-4H3/t12-,13+,14-,16-,18+/m1/s1 |
| InChIKey |
KPBBYHIEGYHQBE-HUIPPAIASA-N |
| Molecular Weight |
298.442 g/mol |
| SMILES |
[C@@]12([C@](CC[C@]2([C@@](CC[C@](C(O)(C)C)(F)[H])(C)[H])[H])(C(=O)CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897812 |
![[1R-[1.beta.(1R*,4R*),3a.alpha.,7a.beta.)]]-1-(4-fluoro-5-hydroxy-1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one](/api/spectrum/6e2zZFMIGT7/structure.png?h=300&w=458 "[1R-[1.beta.(1R*,4R*),3a.alpha.,7a.beta.)]]-1-(4-fluoro-5-hydroxy-1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-one")
