| SpectraBase Spectrum ID |
7qwMGcuHnBs |
| Name |
(1R,3S,5R,7R)-2-((S)-1-(3-fluoro-4-methoxyphenyl)butan-2-yl)adamantan-2-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.215158335 u |
| Formula |
C21H29FO2 |
| InChI |
InChI=1S/C21H29FO2/c1-3-16(7-13-4-5-20(24-2)19(22)12-13)21(23)17-8-14-6-15(10-17)11-18(21)9-14/h4-5,12,14-18,23H,3,6-11H2,1-2H3/t14-,15+,16-,17-,18+,21-/m0/s1 |
| InChIKey |
CWIQXOSXCUSOCN-CMORYLQASA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
332.459 g/mol |
| Optical Rotation |
[a]D20 = +11.6 (c = 0.86, CHCl3) |
| Quality |
34 |
| Reported Formula |
C21H29FO2 |
| SMILES |
OC1([C@](CC=2C=C(C(=CC2)OC)F)(CC)[H])[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H] |
| SPLASH |
splash10-0udr-0910000000-a42bf28866da412ae9cb |
| Sample Comments |
90% ee |
| Source of Spectrum |
ACI-62-SM86-(S)-4ab (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908233 |
