| SpectraBase Spectrum ID |
B1teJ56w0DA |
| Name |
diethyl 2-(2-(3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl)propyl)malonate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.215472069 u |
| Formula |
C27H30N2O5 |
| InChI |
InChI=1S/C27H30N2O5/c1-5-33-26(31)21(27(32)34-6-2)16-18(4)20-13-7-10-17(3)23(20)25(30)29-22-14-8-11-19-12-9-15-28-24(19)22/h7-15,18,21H,5-6,16H2,1-4H3,(H,29,30) |
| InChIKey |
XMNRGZVATAUCAY-UHFFFAOYSA-N |
| Instrument Name |
JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201901300 |
| Molecular Weight |
462.546 g/mol |
| Quality |
294 |
| Reported Formula |
C27H30N2O5 |
| SMILES |
N(C(C1=C(C(CC(C(OCC)=O)C(=O)OCC)C)C=CC=C1C)=O)C1=CC=CC2=C1N=CC=C2 |
| SPLASH |
splash10-0a4i-0921100000-342815058c5928a2fed7 |
| Sample Comments |
linear:branched = 82:18 |
| Source of Spectrum |
QE-25-SM23-3i-2 (DOI: 10.1002/chem.201901300) |
| Thin-Layer Chromatography |
0.40 (hexane/EtOAc, 2:1) |
| Wiley ID |
1891514 |
