| SpectraBase Spectrum ID |
BjGLrRwamiR |
| Name |
(S)-1,1-dicyclopropyl-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.168208142 u |
| Formula |
C17H23FO2 |
| InChI |
InChI=1S/C17H23FO2/c1-11(17(19,13-4-5-13)14-6-7-14)9-12-3-8-16(20-2)15(18)10-12/h3,8,10-11,13-14,19H,4-7,9H2,1-2H3/t11-/m0/s1 |
| InChIKey |
GWWCXXRFNIYOGY-NSHDSACASA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
278.367 g/mol |
| Optical Rotation |
[a]D20 = -17.8 (c = 0.54, CHCl3) |
| Quality |
41 |
| Reported Formula |
C17H23FO2 |
| SMILES |
OC([C@@](C)(CC1=CC=C(C(=C1)F)OC)[H])(C1CC1)C1CC1 |
| SPLASH |
splash10-029i-3900000000-46de2749bc724df75d51 |
| Sample Comments |
94% ee |
| Source of Spectrum |
ACI-62-SM66-(S)-4m (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908243 |
