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2-Acetyl-5-iodo-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole
SpectraBase Compound ID Gw9R8pJIW4U
InChI InChI=1S/C13H16INO5/c1-7(16)12-9(6-11(18)20-3)8(13(14)15-12)4-5-10(17)19-2/h15H,4-6H2,1-3H3
InChIKey SJZBQTOMGZTUDW-UHFFFAOYSA-N
Mol Weight 393.18 g/mol
Molecular Formula C13H16INO5
Exact Mass 393.007318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIlH9aGmG14
Name 2-Acetyl-5-iodo-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole
Alternate Name(s) methyl 3-[5-acetyl-2-iodo-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H16INO5
InChI InChI=1S/C13H16INO5/c1-7(16)12-9(6-11(18)20-3)8(13(14)15-12)4-5-10(17)19-2/h15H,4-6H2,1-3H3
InChIKey SJZBQTOMGZTUDW-UHFFFAOYSA-N
Molecular Weight 393.177 g/mol
SMILES [nH]1c(c(c(c1C(=O)C)CC(=O)OC)CCC(=O)OC)I
SPLASH splash10-014i-0093000000-213035b65562de9e6391
Source of Spectrum F-48-4707-26
Wiley ID 1366134