| SpectraBase Spectrum ID |
LCm7cGbPuK8 |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 4-nitrobenzoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.110672646 u |
| Formula |
C15H17NO5 |
| InChI |
InChI=1S/C15H17NO5/c17-10-9-11-3-1-2-4-14(11)21-15(18)12-5-7-13(8-6-12)16(19)20/h5-8,10-11,14H,1-4,9H2/t11-,14+/m1/s1 |
| InChIKey |
HDWUTJQZPWYVCF-RISCZKNCSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Optical Rotation |
[a]D20 = +27.8 (c = 1.0, CH2Cl2) |
| Quality |
226 |
| Reported Formula |
C15H17NO5 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=CC=C(C=C1)[N+]([O-])=O)=O)[H] |
| SPLASH |
splash10-0udi-9600000000-adee24715a8262abce8c |
| Sample Comments |
86% ee |
| Source of Spectrum |
QE-24-SM11-4c (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900238 |
