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5-Amino-7-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-cyanovinyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
SpectraBase Compound ID KnXY3UdWI5U
InChI InChI=1S/C22H12Cl2N4OS/c23-15-5-1-12(2-6-15)9-14(10-25)22-28-21-19(30-22)18(17(11-26)20(27)29-21)13-3-7-16(24)8-4-13/h1-9,18H,27H2
InChIKey CUYZFGDOOGOQBF-UHFFFAOYSA-N
Mol Weight 451.33 g/mol
Molecular Formula C22H12Cl2N4OS
Exact Mass 450.010888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcORp05d4KX
Name 5-Amino-7-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-1-cyanovinyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H12Cl2N4OS
InChI InChI=1S/C22H12Cl2N4OS/c23-15-5-1-12(2-6-15)9-14(10-25)22-28-21-19(30-22)18(17(11-26)20(27)29-21)13-3-7-16(24)8-4-13/h1-9,18H,27H2
InChIKey CUYZFGDOOGOQBF-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5988 A or Shimadzu QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3870
Molecular Weight 451.331 g/mol
SMILES NC=1Oc2c(C(C1C#N)c1ccc(cc1)Cl)sc(n2)C(C#N)=Cc1ccc(cc1)Cl
SPLASH splash10-000i-0009000000-8c33bce1347d6ac39543
Source of Spectrum Y-57-1340-7b
Wiley ID 1860096