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Dimethyl (2Z)-2-Chloro-3-{1-[dichloro(cyano)methyl]isoquinolin-2(1H)-yl}but-2-enedioate
SpectraBase Compound ID eEbq8aK3ZN
InChI InChI=1S/C17H13Cl3N2O4/c1-25-15(23)13(18)14(16(24)26-2)22-7-6-10-4-3-5-12(11(10)8-22)17(19,20)9-21/h3-7H,8H2,1-2H3/b14-13-
InChIKey XGNILGAHPDARAU-YPKPFQOOSA-N
Mol Weight 415.66 g/mol
Molecular Formula C17H13Cl3N2O4
Exact Mass 413.99409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtsCFDf5l4y
Name Dimethyl (2Z)-2-Chloro-3-{1-[dichloro(cyano)methyl]isoquinolin-2(1H)-yl}but-2-enedioate
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Formula C17H13Cl3N2O4
InChI InChI=1S/C17H13Cl3N2O4/c1-25-15(23)13(18)14(16(24)26-2)22-7-6-10-4-3-5-12(11(10)8-22)17(19,20)9-21/h3-7H,8H2,1-2H3/b14-13-
InChIKey XGNILGAHPDARAU-YPKPFQOOSA-N
Literature Reference DOI 10.1002/hlca.201000279
Molecular Weight 415.660 g/mol
SMILES C1c2c(cccc2C=CN1\C(C(OC)=O)=C/(C(OC)=O)Cl)C(C#N)(Cl)Cl
SPLASH splash10-0a4i-2409000000-84a8bd674eac5186f6b5
Source of Spectrum H-94-813-4a
Synonyms Dimethyl 2-chloro-3-(8-(dichloro(cyano)methyl)isoquinolin-2(1H)-yl)maleate
Wiley ID 1785984