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(Z)-2-(3,3-Dichloro-1-nitro-2-(4-tolylthio)allylidene)-3-p-tolylthiazolidin-4-one
SpectraBase Compound ID Dmjji9URsCT
InChI InChI=1S/C20H16Cl2N2O3S2/c1-12-3-7-14(8-4-12)23-16(25)11-28-20(23)17(24(26)27)18(19(21)22)29-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3/b20-17-
InChIKey ZSZJDJVQRGWWIQ-JZJYNLBNSA-N
Mol Weight 467.39 g/mol
Molecular Formula C20H16Cl2N2O3S2
Exact Mass 465.99794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6cMfMlMKJn
Name (Z)-2-(3,3-Dichloro-1-nitro-2-(4-tolylthio)allylidene)-3-p-tolylthiazolidin-4-one
Appearance Orange solid
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Formula C20H16Cl2N2O3S2
InChI InChI=1S/C20H16Cl2N2O3S2/c1-12-3-7-14(8-4-12)23-16(25)11-28-20(23)17(24(26)27)18(19(21)22)29-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3/b20-17-
InChIKey ZSZJDJVQRGWWIQ-JZJYNLBNSA-N
Instrument Name Hewlett Packard 'MS 5989B'
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.170
Molecular Weight 467.385 g/mol
Reported Formula C20H16Cl2N2O3S2
SMILES c1(N2\C(SCC2=O)=C/(C(=C(Cl)Cl)Sc2ccc(cc2)C)[N+]([O-])=O)ccc(cc1)C
SPLASH splash10-0006-9053000000-73b5310d0e599350f184
Source of Spectrum BJO-10-SM7-19
Wiley ID 1853915