| SpectraBase Spectrum ID |
C2F1YWCLZ7S |
| Name |
4-(hexan-2-yl)-2-methyl-3-(quinolin-8-ylcarbamoyl)phenyl 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/c1-5-6-9-16(2)20-13-14-22(30-18(4)28)17(3)23(20)25(29)27-21-12-7-10-19-11-8-15-26-24(19)21/h7-8,10-16H,5-6,9H2,1-4H3,(H,27,29) |
| InChIKey |
PGYJCRRTYWXWLK-UHFFFAOYSA-N |
| Instrument Name |
JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201901300 |
| Molecular Weight |
404.510 g/mol |
| Quality |
113 |
| Reported Formula |
C25H28N2O3 |
| SMILES |
N(C(C1=C(C(C)CCCC)C=CC(=C1C)OC(C)=O)=O)C1=CC=CC2=C1N=CC=C2 |
| SPLASH |
splash10-0j4i-0490100000-091f260bee63e7305d52 |
| Sample Comments |
linear:branched = 78:22 |
| Source of Spectrum |
QE-25-SM14-2k-2 (DOI: 10.1002/chem.201901300) |
| Thin-Layer Chromatography |
0.21 (hexane/EtOAc, 5:1) |
| Wiley ID |
1891488 |
