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tert-Butyl 3-(2-iodophenyl)(methyl)carbomyl)-1H-1-pyrrolecarboxylate
SpectraBase Compound ID 4ys36YFo14d
InChI InChI=1S/C17H19IN2O3/c1-17(2,3)23-16(22)20-10-9-12(11-20)15(21)19(4)14-8-6-5-7-13(14)18/h5-11H,1-4H3
InChIKey JKPNPJMSYDLKAJ-UHFFFAOYSA-N
Mol Weight 426.25 g/mol
Molecular Formula C17H19IN2O3
Exact Mass 426.044037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOKL3Qpe4SP
Name tert-Butyl 3-(2-iodophenyl)(methyl)carbomyl)-1H-1-pyrrolecarboxylate
Alternate Name(s) tert-Butyl 3-{[2-iodo(methyl)anilino]carbonyl}-1H-pyrrole-1-carboxylate 3-[(2-iodo-N-methylanilino)-oxomethyl]-1-pyrrolecarboxylic acid tert-butyl ester tert-Butyl 3-[(2-iodophenyl)-methylcarbamoyl]pyrrole-1-carboxylate tert-Butyl 3-[(2-iodophenyl)-methyl-carbamoyl]pyrrole-1-carboxylate tert-Butyl 3-[(2-iodanylphenyl)-methyl-carbamoyl]pyrrole-1-carboxylate
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Formula C17H19IN2O3
InChI InChI=1S/C17H19IN2O3/c1-17(2,3)23-16(22)20-10-9-12(11-20)15(21)19(4)14-8-6-5-7-13(14)18/h5-11H,1-4H3
InChIKey JKPNPJMSYDLKAJ-UHFFFAOYSA-N
Molecular Weight 426.254 g/mol
SMILES c1(C(N(c2c(I)cccc2)C)=O)c[n](C(OC(C)(C)C)=O)cc1
SPLASH splash10-0002-2900000000-cc2f253f97926c70f6d0
Source of Spectrum F-53-8291-6
Wiley ID 802660