| SpectraBase Spectrum ID |
A6Dyxhkybki |
| Name |
(S)-5-(4-fluorophenyl)-2-isopropyl-N-((R)-1-(naphthalen-2-yl)ethyl)pentanamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.231142752 u |
| Formula |
C26H30FNO |
| InChI |
InChI=1S/C26H30FNO/c1-18(2)25(10-6-7-20-11-15-24(27)16-12-20)26(29)28-19(3)22-14-13-21-8-4-5-9-23(21)17-22/h4-5,8-9,11-19,25H,6-7,10H2,1-3H3,(H,28,29)/t19-,25+/m1/s1 |
| InChIKey |
LXUZMMDGGRBTKG-CLOONOSVSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
391.530 g/mol |
| Optical Rotation |
[a]D20 = +5.7 (c = 1.05, CHCl3) |
| Quality |
47 |
| Reported Formula |
C26H30FNO |
| SMILES |
N(C([C@@](CCCC1=CC=C(F)C=C1)(C(C)C)[H])=O)[C@](C)(C1=CC2=C(C=C1)C=CC=C2)[H] |
| SPLASH |
splash10-0a4i-0901000000-18b61a1bc50546a08c94 |
| Sample Comments |
dr = 91:9, 95% ee |
| Source of Spectrum |
ACI-62-SM84-(2'S,3R-4aa) (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908195 |
