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Ethyl 2-butyl-1-(4-carboethoxybenzyl)pyrolo[3,2-d]imidazol-5-carboxylate
SpectraBase Compound ID EqPDkygGUfj
InChI InChI=1S/C22H27N3O4/c1-4-7-8-19-23-17-13-18(22(27)29-6-3)24-20(17)25(19)14-15-9-11-16(12-10-15)21(26)28-5-2/h9-13,24H,4-8,14H2,1-3H3
InChIKey ZAPJPZNGLXDMIQ-UHFFFAOYSA-N
Mol Weight 397.48 g/mol
Molecular Formula C22H27N3O4
Exact Mass 397.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xSmRGczznz
Name Ethyl 2-butyl-1-(4-carboethoxybenzyl)pyrolo[3,2-d]imidazol-5-carboxylate
Alternate Name(s) Ethyl 2-butyl-3-[4-(ethoxycarbonyl)benzyl]-3,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate 2-Butyl-3-[(4-ethoxycarbonylphenyl)methyl]-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester Ethyl 2-butyl-3-[(4-ethoxycarbonylphenyl)methyl]-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N3O4
InChI InChI=1S/C22H27N3O4/c1-4-7-8-19-23-17-13-18(22(27)29-6-3)24-20(17)25(19)14-15-9-11-16(12-10-15)21(26)28-5-2/h9-13,24H,4-8,14H2,1-3H3
InChIKey ZAPJPZNGLXDMIQ-UHFFFAOYSA-N
Molecular Weight 397.475 g/mol
SMILES [nH]1c(cc2nc([n](c12)Cc1ccc(C(=O)OCC)cc1)CCCC)C(=O)OCC
SPLASH splash10-052f-0900000000-88e0ec9b9a1893562d4a
Source of Spectrum Y1-36-814-7
Wiley ID 1527156