| SpectraBase Spectrum ID |
FcWAzzpiKZD |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 2-nitrobenzoate |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.110672646 u |
| Formula |
C15H17NO5 |
| InChI |
InChI=1S/C15H17NO5/c17-10-9-11-5-1-4-8-14(11)21-15(18)12-6-2-3-7-13(12)16(19)20/h2-3,6-7,10-11,14H,1,4-5,8-9H2/t11-,14+/m1/s1 |
| InChIKey |
QVLICOSFPLAMBW-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 |
215 |
| Reported Formula |
C15H17NO5 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=CC=CC=C1[N+]([O-])=O)=O)[H] |
| SPLASH |
splash10-0ue9-9600000000-ba3a7dbc8b1fee1b12fe |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-24-SM12-4g (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900242 |
