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2-(4-Chlorobenzoyl)-3-(4-methoxyphenyl)-6-phenyl-2,3-dihydro-4H-thiazolo[2,3-b][1,3,4]thiadiazin-5-ium bromide
SpectraBase Compound ID K05CznX8yAn
InChI InChI=1S/C25H20ClN2O2S2.BrH/c1-30-20-13-9-17(10-14-20)22-24(23(29)18-7-11-19(26)12-8-18)32-25-28(27-22)21(15-31-25)16-5-3-2-4-6-16;/h2-15,22,24,27H,1H3;1H/q+1;/p-1
InChIKey SMKDBVMQCHOFHA-UHFFFAOYSA-M
Mol Weight 559.92 g/mol
Molecular Formula C25H20BrClN2O2S2
Exact Mass 557.983811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QFvJJDBTtx
Name 2-(4-Chlorobenzoyl)-3-(4-methoxyphenyl)-6-phenyl-2,3-dihydro-4H-thiazolo[2,3-b][1,3,4]thiadiazin-5-ium bromide
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Formula C25H20BrClN2O2S2
InChI InChI=1S/C25H20ClN2O2S2.BrH/c1-30-20-13-9-17(10-14-20)22-24(23(29)18-7-11-19(26)12-8-18)32-25-28(27-22)21(15-31-25)16-5-3-2-4-6-16;/h2-15,22,24,27H,1H3;1H/q+1;/p-1
InChIKey SMKDBVMQCHOFHA-UHFFFAOYSA-M
Molecular Weight 559.924 g/mol
SMILES [Br-].N1C(C(Sc2[n+]1c(cs2)-c1ccccc1)C(c1ccc(Cl)cc1)=O)c1ccc(OC)cc1
SPLASH splash10-06sc-0911000000-a0d35d8a8a0ee0bac76d
Source of Spectrum SO-0-731-7
Synonyms 7-(4-Chlorobenzoyl)-6-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[2,3-b][1,3,4]thiadiazin-4-ium bromide
Wiley ID 1540142