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(2Z,5Z)-5-Benzylidene-3-phenyl-2-(2,3,3-trichloro-1-nitroallylidene)-thiazolidin-4-one
SpectraBase Compound ID 5sPKEFfAzpy
InChI InChI=1S/C19H11Cl3N2O3S/c20-15(17(21)22)16(24(26)27)19-23(13-9-5-2-6-10-13)18(25)14(28-19)11-12-7-3-1-4-8-12/h1-11H/b14-11-,19-16-
InChIKey VTJWZGWURJFITK-BGCIJWSBSA-N
Mol Weight 453.73 g/mol
Molecular Formula C19H11Cl3N2O3S
Exact Mass 451.955596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xY9sFamLxb
Name (2Z,5Z)-5-Benzylidene-3-phenyl-2-(2,3,3-trichloro-1-nitroallylidene)-thiazolidin-4-one
Appearance Dark yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H11Cl3N2O3S
InChI InChI=1S/C19H11Cl3N2O3S/c20-15(17(21)22)16(24(26)27)19-23(13-9-5-2-6-10-13)18(25)14(28-19)11-12-7-3-1-4-8-12/h1-11H/b14-11-,19-16-
InChIKey VTJWZGWURJFITK-BGCIJWSBSA-N
Instrument Name Hewlett Packard 'MS 5989B'
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.170
Molecular Weight 453.727 g/mol
Reported Formula C19H11Cl3N2O3S
SMILES c1(ccccc1)\C=C\1C(N(\C(S1)=C/(C(=C(Cl)Cl)Cl)[N+]([O-])=O)c1ccccc1)=O
SPLASH splash10-053r-0709000000-dac6b0b214cb5919b3ce
Source of Spectrum BJO-10-SM8-22
Wiley ID 1853918