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2-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl]malonic acid diethyl ester
SpectraBase Compound ID DFAw4rhNjh5
InChI InChI=1S/C24H32N2O4/c1-4-17-10-9-14-26(16-17)15-13-19-18-11-7-8-12-20(18)25-22(19)21(23(27)29-5-2)24(28)30-6-3/h7-8,10-12,21,25H,4-6,9,13-16H2,1-3H3
InChIKey MICSVIFJZDDAOM-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C24H32N2O4
Exact Mass 412.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1raPZjtK2rl
Name 2-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl]malonic acid diethyl ester
Alternate Name(s) 2-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl]propanedioic acid diethyl ester diethyl 2-[3-[2-(5-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indol-2-yl]propanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C24H32N2O4
InChI InChI=1S/C24H32N2O4/c1-4-17-10-9-14-26(16-17)15-13-19-18-11-7-8-12-20(18)25-22(19)21(23(27)29-5-2)24(28)30-6-3/h7-8,10-12,21,25H,4-6,9,13-16H2,1-3H3
InChIKey MICSVIFJZDDAOM-UHFFFAOYSA-N
Molecular Weight 412.530 g/mol
SMILES [nH]1c2ccccc2c(c1C(C(=O)OCC)C(=O)OCC)CCN1CC(CC)=CCC1
SPLASH splash10-0229-0900400000-f3b2d8b90860c09449b1
Source of Spectrum F-55-14998-6
Wiley ID 840254