| SpectraBase Spectrum ID |
3vm2jEoFxqO |
| Name |
(3S,4R)-4-ethyl-6-oxohexan-3-yl 2-nitrobenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.126322711 u |
| Formula |
C15H19NO5 |
| InChI |
InChI=1S/C15H19NO5/c1-3-11(9-10-17)14(4-2)21-15(18)12-7-5-6-8-13(12)16(19)20/h5-8,10-11,14H,3-4,9H2,1-2H3/t11-,14+/m1/s1 |
| InChIKey |
ARCZLIKHRWNLNO-RISCZKNCSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Optical Rotation |
[a]D20 = +34.6 (c = 1.0, CH2Cl2) |
| Quality |
216 |
| Reported Formula |
C15H19NO5 |
| SMILES |
[C@@]([C@](CC)(CC=O)[H])(OC(C1=CC=CC=C1[N+]([O-])=O)=O)(CC)[H] |
| SPLASH |
splash10-0udi-9600000000-cc390dbf1a0284a946c4 |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-24-SM15-4r (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900253 |
