| SpectraBase Spectrum ID |
3Uw6ozci3rF |
| Name |
trifluoromethyl 3-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]but-3-enoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H23F3O2 |
| InChI |
InChI=1S/C17H23F3O2/c1-10-4-6-13-11(2)5-7-14(15(13)8-10)12(3)9-16(21)22-17(18,19)20/h8,11,13-15H,3-7,9H2,1-2H3/t11-,13+,14+,15+/m1/s1 |
| InChIKey |
NGHOOTOBKZVSLK-UNQGMJICSA-N |
| Instrument Name |
Shimadzu GCMS-QP 2010S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c00653 |
| Molecular Weight |
316.364 g/mol |
| Optical Rotation |
[a]D25 = +2.0 (c = 0.58, CHCl3) |
| Reported Formula |
C17H23F3O2 |
| SMILES |
C1C[C@@]2([C@](C=C1C)([C@@](CC[C@]2(C)[H])(C(CC(OC(F)(F)F)=O)=C)[H])[H])[H] |
| SPLASH |
splash10-00di-4900000000-001d78586155f228bff0 |
| Source of Spectrum |
JOC-86-7606-3b |
| Thin-Layer Chromatography |
Rf = 0.56 (hexane/EtOAc, 4:1) |
| Wiley ID |
1867769 |
![trifluoromethyl 3-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]but-3-enoate](/api/spectrum/3Uw6ozci3rF/structure.png?h=300&w=458 "trifluoromethyl 3-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]but-3-enoate")
