| SpectraBase Spectrum ID |
HtRNgT8vJHj |
| Name |
(R)-3-(4-cyanophenyl)-2-methyl-N-((S)-1-phenylethyl)propanamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H20N2O |
| InChI |
InChI=1S/C19H20N2O/c1-14(12-16-8-10-17(13-20)11-9-16)19(22)21-15(2)18-6-4-3-5-7-18/h3-11,14-15H,12H2,1-2H3,(H,21,22)/t14-,15+/m1/s1 |
| InChIKey |
POTVBEMUAZIBMD-CABCVRRESA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
292.382 g/mol |
| Optical Rotation |
[a]D20 = -56.0 (c = 0.67, CHCl3) |
| Quality |
74 |
| Reported Formula |
C19H20N2O |
| SMILES |
N(C([C@@](CC1=CC=C(C#N)C=C1)(C)[H])=O)[C@@](C)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-0a4l-0940000000-e5c7530ce4d70bde691a |
| Sample Comments |
dr = 8:92, 96% ee |
| Source of Spectrum |
ACI-62-SM71-(2'R,3S-4p) (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908192 |
