| SpectraBase Spectrum ID |
17uATwGFfMB |
| Name |
(3aR*, 9bS*)-8-(trifluoromethyl)-1,2,3a,4,5,9b-Hexahydronaphtho[2,1-b]furan |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.091849527 u |
| Formula |
C13H13F3O |
| GC Column |
(25 m ?? 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 180 oC |
| InChI |
InChI=1S/C13H13F3O/c14-13(15,16)9-3-1-8-2-4-12-10(5-6-17-12)11(8)7-9/h1,3,7,10,12H,2,4-6H2/t10-,12+/m1/s1 |
| InChIKey |
BIYKPUMAUIYPEJ-PWSUYJOCSA-N |
| Instrument Name |
Chirasil-DEX-CB |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/anie.201609110 |
| Molecular Weight |
242.241 g/mol |
| Optical Rotation |
[a]D20 = +90.0 (c = 0.66, CHCl3) |
| SMILES |
C1(=CC2=C(C=C1)CC[C@]1([C@@]2(CCO1)[H])[H])C(F)(F)F |
| SPLASH |
splash10-052b-0890000000-dba47eb2b89bf3a3bef0 |
| Sample Comments |
90% ee |
| Source of Spectrum |
ACI-55-SM21-2f (DOI: 10.1002/anie.201609110) |
| Wiley ID |
1899388 |
![(3aR*, 9bS*)-8-(trifluoromethyl)-1,2,3a,4,5,9b-Hexahydronaphtho[2,1-b]furan](/api/spectrum/17uATwGFfMB/structure.png?h=300&w=458 "(3aR*, 9bS*)-8-(trifluoromethyl)-1,2,3a,4,5,9b-Hexahydronaphtho[2,1-b]furan")
