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5-Amino-7-(4-chlorophenyl)-2-(1-cyano-2-phenylvinyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
SpectraBase Compound ID 3LEJYcO7YVR
InChI InChI=1S/C22H13ClN4OS/c23-16-8-6-14(7-9-16)18-17(12-25)20(26)28-21-19(18)29-22(27-21)15(11-24)10-13-4-2-1-3-5-13/h1-10,18H,26H2
InChIKey HSIGFZLEHKEQQW-UHFFFAOYSA-N
Mol Weight 416.89 g/mol
Molecular Formula C22H13ClN4OS
Exact Mass 416.04986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrqFfnmcojC
Name 5-Amino-7-(4-chlorophenyl)-2-(1-cyano-2-phenylvinyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13ClN4OS
InChI InChI=1S/C22H13ClN4OS/c23-16-8-6-14(7-9-16)18-17(12-25)20(26)28-21-19(18)29-22(27-21)15(11-24)10-13-4-2-1-3-5-13/h1-10,18H,26H2
InChIKey HSIGFZLEHKEQQW-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 416.886 g/mol
SMILES NC=1Oc2c(C(C1C#N)c1ccc(cc1)Cl)sc(n2)C(C#N)=Cc1ccccc1
SPLASH splash10-001i-9000000000-140b9c02dba62641138d
Source of Spectrum Y-57-1340-7a
Wiley ID 1860095