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(Z)-3-(4-Chlorophenyl)-2-(2,3,3-trichloro-1-nitroallylidene)thiazolidin-4-one
SpectraBase Compound ID CxWTRlUESWK
InChI InChI=1S/C12H6Cl4N2O3S/c13-6-1-3-7(4-2-6)17-8(19)5-22-12(17)10(18(20)21)9(14)11(15)16/h1-4H,5H2/b12-10-
InChIKey POFKTCUIJBPNHA-BENRWUELSA-N
Mol Weight 400.1 g/mol
Molecular Formula C12H6Cl4N2O3S
Exact Mass 397.885324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aqpy6wsSgq5
Name (Z)-3-(4-Chlorophenyl)-2-(2,3,3-trichloro-1-nitroallylidene)thiazolidin-4-one
Appearance Yellow solid
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Formula C12H6Cl4N2O3S
InChI InChI=1S/C12H6Cl4N2O3S/c13-6-1-3-7(4-2-6)17-8(19)5-22-12(17)10(18(20)21)9(14)11(15)16/h1-4H,5H2/b12-10-
InChIKey POFKTCUIJBPNHA-BENRWUELSA-N
Instrument Name Hewlett Packard 'MS 5989B'
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.170
Molecular Weight 400.063 g/mol
Reported Formula C12H6Cl4N2O3S
SMILES c1(N2\C(SCC2=O)=C/(C(=C(Cl)Cl)Cl)[N+]([O-])=O)ccc(cc1)Cl
SPLASH splash10-0udi-0090000000-b82682e57f0cf019baaa
Source of Spectrum BJO-10-SM4-8
Wiley ID 1853933