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(Z)-3-(4-Ethoxyphenyl)-2-(2,3,3-trichloro-1-nitroallylidene)thiazolidin-4-one
SpectraBase Compound ID A3g6DXrHZkN
InChI InChI=1S/C14H11Cl3N2O4S/c1-2-23-9-5-3-8(4-6-9)18-10(20)7-24-14(18)12(19(21)22)11(15)13(16)17/h3-6H,2,7H2,1H3/b14-12-
InChIKey KPULCLGOVHBQHV-OWBHPGMISA-N
Mol Weight 409.67 g/mol
Molecular Formula C14H11Cl3N2O4S
Exact Mass 407.950511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80rPbIsoPlH
Name (Z)-3-(4-Ethoxyphenyl)-2-(2,3,3-trichloro-1-nitroallylidene)thiazolidin-4-one
Appearance Light-brown solid
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Formula C14H11Cl3N2O4S
InChI InChI=1S/C14H11Cl3N2O4S/c1-2-23-9-5-3-8(4-6-9)18-10(20)7-24-14(18)12(19(21)22)11(15)13(16)17/h3-6H,2,7H2,1H3/b14-12-
InChIKey KPULCLGOVHBQHV-OWBHPGMISA-N
Instrument Name Hewlett Packard 'MS 5989B'
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.170
Molecular Weight 409.671 g/mol
Reported Formula C14H11Cl3N2O4S
SMILES c1(N2\C(SCC2=O)=C/(C(=C(Cl)Cl)Cl)[N+]([O-])=O)ccc(cc1)OCC
SPLASH splash10-000i-0941000000-83c6a4eebac82ea1cdcb
Source of Spectrum BJO-10-SM6-13
Wiley ID 1853909