| SpectraBase Spectrum ID |
p6kRqdpGA5 |
| Name |
(1S,2R)-4-oxo-1,2-diphenylbutyl benzoate |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.141244501 u |
| Formula |
C23H20O3 |
| InChI |
InChI=1S/C23H20O3/c24-17-16-21(18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)26-23(25)20-14-8-3-9-15-20/h1-15,17,21-22H,16H2/t21-,22-/m0/s1 |
| InChIKey |
DXRGJPMSTHOPTL-VXKWHMMOSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
344.410 g/mol |
| Optical Rotation |
[a]D20 = -24.1 (c = 0.5, CH2Cl2) |
| Quality |
60 |
| Reported Formula |
C23H20O3 |
| SMILES |
[C@@]([C@](C1=CC=CC=C1)(CC=O)[H])(OC(C1=CC=CC=C1)=O)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-0a4i-3900000000-cfe7db48cf129ebe68c7 |
| Sample Comments |
94% ee |
| Source of Spectrum |
QE-24-SM16-4s (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900254 |
