| SpectraBase Spectrum ID |
GDUGpQhFSp7 |
| Name |
(S)-1,1-dicyclopropyl-2-(3-fluoro-4-methoxybenzyl)butan-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.183858206 u |
| Formula |
C18H25FO2 |
| InChI |
InChI=1S/C18H25FO2/c1-3-13(18(20,14-5-6-14)15-7-8-15)10-12-4-9-17(21-2)16(19)11-12/h4,9,11,13-15,20H,3,5-8,10H2,1-2H3/t13-/m0/s1 |
| InChIKey |
KHTRHWSEHHKQJB-ZDUSSCGKSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
292.394 g/mol |
| Optical Rotation |
[a]D20 = -32.0 (c = 1.00, CHCl3) |
| Quality |
103 |
| Reported Formula |
C18H25FO2 |
| SMILES |
OC([C@@](CC)(CC1=CC(=C(C=C1)OC)F)[H])(C1CC1)C1CC1 |
| SPLASH |
splash10-02ti-5900000000-bff6d06019eec37c30c5 |
| Sample Comments |
90% ee |
| Source of Spectrum |
ACI-62-SM89-(S)-4ac (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908234 |
