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1H-Pyrrole-3,4-diacetic acid, 2-iodo-5-methyl-, dimethyl ester
SpectraBase Compound ID Ea4O2ebHZMJ
InChI InChI=1S/C11H14INO4/c1-6-7(4-9(14)16-2)8(11(12)13-6)5-10(15)17-3/h13H,4-5H2,1-3H3
InChIKey SSNLEFMJVPQIQU-UHFFFAOYSA-N
Mol Weight 351.14 g/mol
Molecular Formula C11H14INO4
Exact Mass 350.996753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yvfQoYA49H
Name 1H-Pyrrole-3,4-diacetic acid, 2-iodo-5-methyl-, dimethyl ester
Alternate Name(s) 2-[5-iodo-4-(2-keto-2-methoxy-ethyl)-2-methyl-1H-pyrrol-3-yl]acetic acid methyl ester 2-[5-iodo-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrol-3-yl]acetic acid methyl ester Methyl 2-[5-iodanyl-4-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-1H-pyrrol-3-yl]ethanoate Methyl 2-[5-iodo-4-(2-methoxy-2-oxo-ethyl)-2-methyl-1H-pyrrol-3-yl]acetate
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Formula C11H14INO4
InChI InChI=1S/C11H14INO4/c1-6-7(4-9(14)16-2)8(11(12)13-6)5-10(15)17-3/h13H,4-5H2,1-3H3
InChIKey SSNLEFMJVPQIQU-UHFFFAOYSA-N
Molecular Weight 351.140 g/mol
SMILES [nH]1c(c(c(c1I)CC(=O)OC)CC(=O)OC)C
SPLASH splash10-067l-2950000000-365256d641d8813a4629
Wiley ID 1478121