| SpectraBase Spectrum ID |
rKkfleVTV7 |
| Name |
(S)-1-(3-fluoro-4-methoxyphenyl)-3-isopropyl-2,4-dimethylpentan-3-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.199508270 u |
| Formula |
C17H27FO2 |
| InChI |
InChI=1S/C17H27FO2/c1-11(2)17(19,12(3)4)13(5)9-14-7-8-16(20-6)15(18)10-14/h7-8,10-13,19H,9H2,1-6H3/t13-/m0/s1 |
| InChIKey |
HMWLPSQUVFGZGU-ZDUSSCGKSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
282.399 g/mol |
| Optical Rotation |
[a]D20 = -67.8 (c = 0.72, CHCl3) |
| Quality |
50 |
| Reported Formula |
C17H27FO2 |
| SMILES |
OC([C@@](C)(CC1=CC=C(C(=C1)F)OC)[H])(C(C)C)C(C)C |
| SPLASH |
splash10-000i-0900000000-4845e2b0bd730cdc119a |
| Sample Comments |
96% ee |
| Source of Spectrum |
ACI-62-SM68-(S)-4n (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908244 |
