| SpectraBase Spectrum ID |
AHfBgywMrGr |
| Name |
(S)-1-fluoro-4-(4-iodo-5-methylhexyl)benzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.043723743 u |
| Formula |
C13H18FI |
| InChI |
InChI=1S/C13H18FI/c1-10(2)13(15)5-3-4-11-6-8-12(14)9-7-11/h6-10,13H,3-5H2,1-2H3/t13-/m0/s1 |
| InChIKey |
KNLUVNANESQSAD-ZDUSSCGKSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
320.190 g/mol |
| Optical Rotation |
[a]D20 = +26.7 (c = 1.32, CHCl3) |
| Quality |
81 |
| Reported Formula |
C13H18FI |
| SMILES |
C1(F)=CC=C(C=C1)CCC[C@@](C(C)C)(I)[H] |
| SPLASH |
splash10-0a4l-0900000000-bd4ae59d6263e535a6c7 |
| Sample Comments |
86% ee |
| Source of Spectrum |
ACI-62-SM43-(S)-2l (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908230 |
