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2-Ethoxycarbonyl-3-(4-iodophenyl)-11-N-(tert-butoxycarbonyl)dipyrrolomethane
SpectraBase Compound ID KeNIeciCRf
InChI InChI=1S/C23H25IN2O4/c1-5-29-21(27)18-14-25-19(20(18)15-8-10-16(24)11-9-15)13-17-7-6-12-26(17)22(28)30-23(2,3)4/h6-12,14,25H,5,13H2,1-4H3
InChIKey XOPDHBQTRQVXJJ-UHFFFAOYSA-N
Mol Weight 520.37 g/mol
Molecular Formula C23H25IN2O4
Exact Mass 520.085902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJgRgrbknaj
Name 2-Ethoxycarbonyl-3-(4-iodophenyl)-11-N-(tert-butoxycarbonyl)dipyrrolomethane
Comments Less than 3 mono-isotopic peaks
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Formula C23H25IN2O4
InChI InChI=1S/C23H25IN2O4/c1-5-29-21(27)18-14-25-19(20(18)15-8-10-16(24)11-9-15)13-17-7-6-12-26(17)22(28)30-23(2,3)4/h6-12,14,25H,5,13H2,1-4H3
InChIKey XOPDHBQTRQVXJJ-UHFFFAOYSA-N
Molecular Weight 520.367 g/mol
SMILES [nH]1c(c(c(c1)C(=O)OCC)-c1ccc(cc1)I)Cc1[n](C(OC(C)(C)C)=O)ccc1
SPLASH splash10-00di-0000190000-cefa56417d64d14c7fd3
Source of Spectrum F-55-6779-3
Synonyms tert-butyl 2-{[4-(ethoxycarbonyl)-3-(4-iodophenyl)-1H-pyrrol-2-yl]methyl}-1H-pyrrole-1-carboxylate
Wiley ID 838004