| SpectraBase Spectrum ID |
6LgiBXUJLeq |
| Name |
5-(3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl)hexyl acetate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.209992767 u |
| Formula |
C25H28N2O3 |
| InChI |
InChI=1S/C25H28N2O3/c1-17(9-4-5-16-30-19(3)28)21-13-6-10-18(2)23(21)25(29)27-22-14-7-11-20-12-8-15-26-24(20)22/h6-8,10-15,17H,4-5,9,16H2,1-3H3,(H,27,29) |
| InChIKey |
LVKXSTSBBMLNIO-UHFFFAOYSA-N |
| Instrument Name |
JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201901300 |
| Molecular Weight |
404.510 g/mol |
| Quality |
232 |
| Reported Formula |
C25H28N2O3 |
| SMILES |
N(C(C=1C(C)=CC=CC1C(CCCCOC(C)=O)C)=O)C1=CC=CC2=C1N=CC=C2 |
| SPLASH |
splash10-06r2-0920100000-f1a95b772b5b36f16118 |
| Sample Comments |
linear:branched = 86:14 |
| Source of Spectrum |
QE-25-SM20-3d-2 (DOI: 10.1002/chem.201901300) |
| Thin-Layer Chromatography |
0.17 (hexane/EtOAc, 5:1) |
| Wiley ID |
1891506 |
