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Dimethyl (2Z)-2-Chloro-3-{2-[dichloro(cyano)methyl]benzothiazol-3(2H)-yl}but-2-enedioate
SpectraBase Compound ID 7i8b7X49qD2
InChI InChI=1S/C15H11Cl3N2O4S/c1-23-12(21)10(16)11(13(22)24-2)20-8-5-3-4-6-9(8)25-14(20)15(17,18)7-19/h3-6,14H,1-2H3/b11-10-
InChIKey ZPVVQSVQMNSYBI-KHPPLWFESA-N
Mol Weight 421.68 g/mol
Molecular Formula C15H11Cl3N2O4S
Exact Mass 419.950511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dg4ONHodnhv
Name Dimethyl (2Z)-2-Chloro-3-{2-[dichloro(cyano)methyl]benzothiazol-3(2H)-yl}but-2-enedioate
Alternate Name(s) Dimethyl 2-chloro-3-(2-(dichloro(cyano)methyl)benzo[d]thiazol-3(2H)-yl)maleate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11Cl3N2O4S
InChI InChI=1S/C15H11Cl3N2O4S/c1-23-12(21)10(16)11(13(22)24-2)20-8-5-3-4-6-9(8)25-14(20)15(17,18)7-19/h3-6,14H,1-2H3/b11-10-
InChIKey ZPVVQSVQMNSYBI-KHPPLWFESA-N
Literature Reference DOI 10.1002/hlca.201000279
Molecular Weight 421.682 g/mol
SMILES C(\C(=C/(C(=O)OC)N1C(Sc2c1cccc2)C(C#N)(Cl)Cl)Cl)(=O)OC
SPLASH splash10-03dl-6329000000-1e5b478ef2c78a66d36b
Source of Spectrum H-94-815-13
Wiley ID 1785981