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diethyl 2-(3-(3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl)propyl)malonate
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)

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
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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