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Dimethyl (2Z)-2-Chloro-3-{4-[dichloro(cyano)methyl]pyridin-1(4H)-yl}but-2-enedioate
SpectraBase Compound ID E3EgpvugMb6
InChI InChI=1S/C13H11Cl3N2O4/c1-21-11(19)9(14)10(12(20)22-2)18-5-3-8(4-6-18)13(15,16)7-17/h3-6,8H,1-2H3/b10-9-
InChIKey IUBFLDNOOAVVJT-KTKRTIGZSA-N
Mol Weight 365.6 g/mol
Molecular Formula C13H11Cl3N2O4
Exact Mass 363.97844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7qITYaIG7B
Name Dimethyl (2Z)-2-Chloro-3-{4-[dichloro(cyano)methyl]pyridin-1(4H)-yl}but-2-enedioate
Alternate Name(s) Dimethyl 2-chloro-3-(4-(dichloro(cyano)methyl)pyridin-1(4H)-yl)maleate
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Formula C13H11Cl3N2O4
InChI InChI=1S/C13H11Cl3N2O4/c1-21-11(19)9(14)10(12(20)22-2)18-5-3-8(4-6-18)13(15,16)7-17/h3-6,8H,1-2H3/b10-9-
InChIKey IUBFLDNOOAVVJT-KTKRTIGZSA-N
Literature Reference DOI 10.1002/hlca.201000279
Molecular Weight 365.600 g/mol
SMILES C(\C(=C/(C(=O)OC)N1C=CC(C=C1)C(C#N)(Cl)Cl)Cl)(=O)OC
SPLASH splash10-0udl-9141000000-3beb32c153c3bf7fbc75
Source of Spectrum H-94-814-9a
Wiley ID 1785986