| SpectraBase Spectrum ID |
CvDj0hoelVI |
| Name |
(1R,5S)-2-((S)-5-(3-chloro-4-fluorophenyl)-4-iodopentyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25ClFI |
| InChI |
InChI=1S/C20H25ClFI/c1-20(2)15-8-7-14(17(20)12-15)4-3-5-16(23)10-13-6-9-19(22)18(21)11-13/h6-7,9,11,15-17H,3-5,8,10,12H2,1-2H3/t15-,16-,17-/m0/s1 |
| InChIKey |
JWAAQVZMWDGOMO-ULQDDVLXSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
446.776 g/mol |
| Optical Rotation |
[a]D20 = -25.3 (c = 1.73, CHCl3) |
| Quality |
60 |
| Reported Formula |
C20H25ClFI |
| SMILES |
C1[C@@]2(CC=C([C@]1(C2(C)C)[H])CCC[C@](I)(CC1=CC=C(C(=C1)Cl)F)[H])[H] |
| SPLASH |
splash10-002g-4901000000-c450af8e035575193a3e |
| Sample Comments |
98% ee, dr = 95:5 |
| Source of Spectrum |
ACI-62-SM42-(R,S,S)-2k (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908224 |
![(1R,5S)-2-((S)-5-(3-chloro-4-fluorophenyl)-4-iodopentyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene](/api/spectrum/CvDj0hoelVI/structure.png?h=300&w=458 "(1R,5S)-2-((S)-5-(3-chloro-4-fluorophenyl)-4-iodopentyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene")
