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2-Formylamino-2-[4-(3-methylbutyl)-1H-indol-3-ylmethyl]malonic acid, diethyl ester
SpectraBase Compound ID L6tA91u9dqx
InChI InChI=1S/C22H30N2O5/c1-5-28-20(26)22(24-14-25,21(27)29-6-2)12-17-13-23-18-9-7-8-16(19(17)18)11-10-15(3)4/h7-9,13-15,23H,5-6,10-12H2,1-4H3,(H,24,25)
InChIKey VRUKEQHEMPOJIE-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C22H30N2O5
Exact Mass 402.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLYOrKSO4qY
Name 2-Formylamino-2-[4-(3-methylbutyl)-1H-indol-3-ylmethyl]malonic acid, diethyl ester
Alternate Name(s) 2-formamido-2-[(4-isoamyl-1H-indol-3-yl)methyl]malonic acid diethyl ester 2-formamido-2-[[4-(3-methylbutyl)-1H-indol-3-yl]methyl]propanedioic acid diethyl ester Diethyl 2-(formylamino)-2-[(4-isopentyl-1H-indol-3-yl)methyl]malonate Diethyl 2-formamido-2-[(4-isopentyl-1H-indol-3-yl)methyl]propanedioate Diethyl 2-formamido-2-[[4-(3-methylbutyl)-1H-indol-3-yl]methyl]propanedioate
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Formula C22H30N2O5
InChI InChI=1S/C22H30N2O5/c1-5-28-20(26)22(24-14-25,21(27)29-6-2)12-17-13-23-18-9-7-8-16(19(17)18)11-10-15(3)4/h7-9,13-15,23H,5-6,10-12H2,1-4H3,(H,24,25)
InChIKey VRUKEQHEMPOJIE-UHFFFAOYSA-N
Molecular Weight 402.491 g/mol
SMILES [nH]1c2c(c(CC(C(=O)OCC)(C(=O)OCC)NC=O)c1)c(ccc2)CCC(C)C
SPLASH splash10-0udl-1950000000-cd563f3f6d97258024e8
Wiley ID 1486616