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7-cyano-4-(2,2-dimethyl-1-oxopropoxy)-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 5cE2Oz5bc1q
InChI InChI=1S/C21H21N3O6/c1-21(2,3)19(26)30-16-9-15-12(7-6-11(10-22)24(15)20(27)29-5)13-8-14(18(25)28-4)23-17(13)16/h6-9,11,23H,1-5H3
InChIKey COLKCFTXHVASRT-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C21H21N3O6
Exact Mass 411.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4jQkEYVMWx
Name 7-cyano-4-(2,2-dimethyl-1-oxopropoxy)-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylic acid dimethyl ester
Alternate Name(s) 7-cyano-4-pivaloyloxy-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylic acid dimethyl ester Dimethyl 7-cyano-4-(2,2-dimethylpropanoyloxy)-3,7-dihydropyrrolo[3,2-f]quinoline-2,6-dicarboxylate
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Formula C21H21N3O6
InChI InChI=1S/C21H21N3O6/c1-21(2,3)19(26)30-16-9-15-12(7-6-11(10-22)24(15)20(27)29-5)13-8-14(18(25)28-4)23-17(13)16/h6-9,11,23H,1-5H3
InChIKey COLKCFTXHVASRT-UHFFFAOYSA-N
Molecular Weight 411.414 g/mol
SMILES [nH]1c(cc2c1c(cc1N(C(C=Cc21)C#N)C(=O)OC)OC(C(C)(C)C)=O)C(=O)OC
SPLASH splash10-0a4i-9020000000-86473e8c728eb1bc8489
Source of Spectrum E1-46-410-47
Wiley ID 1554210