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Bis[3-bromo-5-(2-cyano-2-methoxycarbonylvinyl)pyrrol-2-yl]methane
SpectraBase Compound ID 5pNatv861ca
InChI InChI=1S/C19H14Br2N4O4/c1-28-18(26)10(8-22)3-12-5-14(20)16(24-12)7-17-15(21)6-13(25-17)4-11(9-23)19(27)29-2/h3-6,24-25H,7H2,1-2H3/b10-3+,11-4+
InChIKey CFGQYTNDZCYKMB-HULALXFYSA-N
Mol Weight 522.15 g/mol
Molecular Formula C19H14Br2N4O4
Exact Mass 519.938181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9auOWim89rJ
Name Bis[3-bromo-5-(2-cyano-2-methoxycarbonylvinyl)pyrrol-2-yl]methane
Alternate Name(s) methyl (2E)-3-[4-bromo-5-({3-bromo-5-[(1E)-2-cyano-3-methoxy-3-oxo-1-propenyl]-1H-pyrrol-2-yl}methyl)-1H-pyrrol-2-yl]-2-cyano-2-propenoate (E)-3-[4-bromo-5-[[3-bromo-5-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-2-cyano-2-propenoic acid methyl ester methyl (E)-3-[4-bromo-5-[[3-bromo-5-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-2-cyanoprop-2-enoate methyl (E)-3-[4-bromo-5-[[3-bromo-5-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-2-cyano-prop-2-enoate methyl (E)-3-[4-bromanyl-5-[[3-bromanyl-5-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]-2-cyano-prop-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H14Br2N4O4
InChI InChI=1S/C19H14Br2N4O4/c1-28-18(26)10(8-22)3-12-5-14(20)16(24-12)7-17-15(21)6-13(25-17)4-11(9-23)19(27)29-2/h3-6,24-25H,7H2,1-2H3/b10-3+,11-4+
InChIKey CFGQYTNDZCYKMB-HULALXFYSA-N
Molecular Weight 522.153 g/mol
SMILES [nH]1c(cc(c1Cc1c(cc([nH]1)\C=C\(C(=O)OC)C#N)Br)Br)\C=C\(C(=O)OC)C#N
SPLASH splash10-00e9-0006090000-9202a3c929ed09a55886
Source of Spectrum KC-0-1446-10
Wiley ID 787988