| SpectraBase Compound ID | GUuLh6OU6Hg |
|---|---|
| InChI | InChI=1S/C27H30N2O5/c1-4-33-26(31)21(27(32)34-5-2)15-7-12-19-11-6-10-18(3)23(19)25(30)29-22-16-8-13-20-14-9-17-28-24(20)22/h6,8-11,13-14,16-17,21H,4-5,7,12,15H2,1-3H3,(H,29,30) |
| InChIKey | AHOVETLCOSYQLK-UHFFFAOYSA-N |
| Mol Weight | 462.55 g/mol |
| Molecular Formula | C27H30N2O5 |
| Exact Mass | 462.215472 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FkDObb8YKSw |
|---|---|
| Name | diethyl 2-(3-(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/c1-4-33-26(31)21(27(32)34-5-2)15-7-12-19-11-6-10-18(3)23(19)25(30)29-22-16-8-13-20-14-9-17-28-24(20)22/h6,8-11,13-14,16-17,21H,4-5,7,12,15H2,1-3H3,(H,29,30) |
| InChIKey | AHOVETLCOSYQLK-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(CCCC(C(OCC)=O)C(=O)OCC)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-1 (DOI: 10.1002/chem.201901300) |
| Thin-Layer Chromatography | 0.40 (hexane/EtOAc, 2:1) |
| Wiley ID | 1891513 |