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(E)-1-(2-iodo-4,5-dimethoxybenzyl)-2-(3-methoxyprop-1-enyl)-1H-pyrrole
SpectraBase Compound ID CI3X2Bwgxdj
InChI InChI=1S/C16H18INO3/c1-20-15-9-12(14(17)10-16(15)21-2)11-18-7-3-5-13(18)6-4-8-19/h3-7,9-10,19H,8,11H2,1-2H3/b6-4+
InChIKey JPEUOZVASLUIML-GQCTYLIASA-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 7i6x1JimSZ9
Name (E)-1-(2-iodo-4,5-dimethoxybenzyl)-2-(3-methoxyprop-1-enyl)-1H-pyrrole
Alternate Name(s) (E)-3-(1-(2-iodo-4,5-dimethoxybenzyl)-1H-pyrrol-2-yl)prop-2-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18INO3
InChI InChI=1S/C16H18INO3/c1-20-15-9-12(14(17)10-16(15)21-2)11-18-7-3-5-13(18)6-4-8-19/h3-7,9-10,19H,8,11H2,1-2H3/b6-4+
InChIKey JPEUOZVASLUIML-GQCTYLIASA-N
Literature Reference DOI 10.1002/adsc.200900368
Molecular Weight 399.228 g/mol
SMILES OC\C=C\c1[n](ccc1)Cc1c(cc(c(c1)OC)OC)I
SPLASH splash10-0fb9-0091000000-667fd70c3946bb680082
Source of Spectrum ASC-351-2460/SM6-6_2
Wiley ID 1763441