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tert-Butyl 4-iodo-2-(4-methoxyphenyl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID AtXclrQmknj
InChI InChI=1S/C16H18INO3/c1-16(2,3)21-15(19)18-10-12(17)9-14(18)11-5-7-13(20-4)8-6-11/h5-10H,1-4H3
InChIKey ZOAGDIVQWZFIFG-UHFFFAOYSA-N
Mol Weight 399.23 g/mol
Molecular Formula C16H18INO3
Exact Mass 399.033138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTkeZQL8klA
Name tert-Butyl 4-iodo-2-(4-methoxyphenyl)-1H-pyrrole-1-carboxylate
Alternate Name(s) 4-Iodo-2-(4-methoxyphenyl)-1-pyrrolecarboxylic acid tert-butyl ester tert-Butyl 4-iodo-2-(4-methoxyphenyl)pyrrole-1-carboxylate tert-Butyl 4-iodanyl-2-(4-methoxyphenyl)pyrrole-1-carboxylate
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Formula C16H18INO3
InChI InChI=1S/C16H18INO3/c1-16(2,3)21-15(19)18-10-12(17)9-14(18)11-5-7-13(20-4)8-6-11/h5-10H,1-4H3
InChIKey ZOAGDIVQWZFIFG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol900581a
Molecular Weight 399.228 g/mol
SMILES c1c(I)c[n](c1-c1ccc(cc1)OC)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-9110000000-94741b6f15f2d3a309f9
Source of Spectrum A1-11-2269/SM13-4d
Wiley ID 1756778