| SpectraBase Spectrum ID |
2loWjSGzPBS |
| Name |
(3S,4R)-4-ethyl-6-hydroxyhexan-3-yl 2-nitrobenzoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.141972775 u |
| Formula |
C15H21NO5 |
| InChI |
InChI=1S/C15H21NO5/c1-3-11(9-10-17)14(4-2)21-15(18)12-7-5-6-8-13(12)16(19)20/h5-8,11,14,17H,3-4,9-10H2,1-2H3/t11-,14+/m1/s1 |
| InChIKey |
TYJYEPXPEBTAKR-RISCZKNCSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Optical Rotation |
[a]D20 = +0.4 (c = 1.0, CH2Cl2) |
| Quality |
192 |
| Reported Formula |
C15H21NO5 |
| SMILES |
OCC[C@]([C@@](OC(C1=CC=CC=C1[N+]([O-])=O)=O)(CC)[H])(CC)[H] |
| SPLASH |
splash10-0udi-9400000000-8a86d6f825e471ce8357 |
| Source of Spectrum |
QE-24-SM23-5r (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900270 |
