| SpectraBase Spectrum ID |
5GMy0uCWuRw |
| Name |
(R)-1-(3-chloro-4-fluorophenyl)-5-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)pentan-2-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.165621319 u |
| Formula |
C20H26ClFO |
| InChI |
InChI=1S/C20H26ClFO/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/h6-7,9,11,15-17,23H,3-5,8,10,12H2,1-2H3/t15-,16+,17-/m0/s1 |
| InChIKey |
INYBUVFHTVCHRD-BBWFWOEESA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
336.878 g/mol |
| Optical Rotation |
[a]D20 = -20.8 (c = 1.2, CHCl3) |
| Quality |
69 |
| Reported Formula |
C20H26ClFO |
| SMILES |
O[C@](CCCC1=CC[C@]2(C[C@@]1(C2(C)C)[H])[H])(CC1=CC=C(C(=C1)Cl)F)[H] |
| SPLASH |
splash10-0006-3900000000-a8e7e014d4dd74340bee |
| Source of Spectrum |
ACI-62-SM29-(R,R,S)-7k (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908222 |
![(R)-1-(3-chloro-4-fluorophenyl)-5-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)pentan-2-ol](/api/spectrum/5GMy0uCWuRw/structure.png?h=300&w=458 "(R)-1-(3-chloro-4-fluorophenyl)-5-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)pentan-2-ol")
