| SpectraBase Spectrum ID |
4FYwACJGsLx |
| Name |
(1S,2R)-4-oxo-1,2-diphenylbutyl 2-nitrobenzoate |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.126322711 u |
| Formula |
C23H19NO5 |
| InChI |
InChI=1S/C23H19NO5/c25-16-15-19(17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)29-23(26)20-13-7-8-14-21(20)24(27)28/h1-14,16,19,22H,15H2/t19-,22-/m0/s1 |
| InChIKey |
RAPMLVDJLFOCHO-UGKGYDQZSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
389.407 g/mol |
| Optical Rotation |
[a]D20 = +7.6 (c = 1.0, CH2Cl2) |
| Quality |
232 |
| Reported Formula |
C23H19NO5 |
| SMILES |
[C@@]([C@](C1=CC=CC=C1)(CC=O)[H])(OC(C1=CC=CC=C1[N+]([O-])=O)=O)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-0pxu-4910000000-54a741eb76e331aa587c |
| Sample Comments |
96% ee |
| Source of Spectrum |
QE-24-SM16-4t (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900255 |
