| SpectraBase Spectrum ID |
7jlJDCMN57u |
| Name |
1-((S)-1-(3-chloro-4-fluorophenyl)-5-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)pentan-2-yl)cyclobutan-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.212571512 u |
| Formula |
C24H32ClFO |
| InChI |
InChI=1S/C24H32ClFO/c1-23(2)18-9-8-17(20(23)15-18)5-3-6-19(24(27)11-4-12-24)13-16-7-10-22(26)21(25)14-16/h7-8,10,14,18-20,27H,3-6,9,11-13,15H2,1-2H3/t18-,19-,20-/m0/s1 |
| InChIKey |
FQQPPXIFXYPEML-UFYCRDLUSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
390.970 g/mol |
| Optical Rotation |
[a]D20 = -14.3 (c = 1.3, CHCl3) |
| Quality |
51 |
| Reported Formula |
C24H32ClFO |
| SMILES |
OC1([C@@](CCCC2=CC[C@]3(C[C@@]2(C3(C)C)[H])[H])(CC2=CC=C(C(=C2)Cl)F)[H])CCC1 |
| SPLASH |
splash10-0006-5900000000-cfb9c1d3546151d13a47 |
| Sample Comments |
dr = 92:8, 98% ee |
| Source of Spectrum |
ACI-62-SM83-(R,S,S)-4z (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908225 |
![1-((S)-1-(3-chloro-4-fluorophenyl)-5-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)pentan-2-yl)cyclobutan-1-ol](/api/spectrum/7jlJDCMN57u/structure.png?h=300&w=458 "1-((S)-1-(3-chloro-4-fluorophenyl)-5-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)pentan-2-yl)cyclobutan-1-ol")
