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2-(4-Bromobenzoyl)-3,6-diphenyl-2,3-dihydro-4H-thiazolo[2,3-b][1,3,4]thiadiazin-5-ium bromide
SpectraBase Compound ID 8d1oCGHx7G4
InChI InChI=1S/C24H18BrN2OS2.BrH/c25-19-13-11-18(12-14-19)22(28)23-21(17-9-5-2-6-10-17)26-27-20(15-29-24(27)30-23)16-7-3-1-4-8-16;/h1-15,21,23,26H;1H/q+1;/p-1
InChIKey KNFJUQZWBRMXFJ-UHFFFAOYSA-M
Mol Weight 574.35 g/mol
Molecular Formula C24H18Br2N2OS2
Exact Mass 571.922732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vswg4GCqu
Name 2-(4-Bromobenzoyl)-3,6-diphenyl-2,3-dihydro-4H-thiazolo[2,3-b][1,3,4]thiadiazin-5-ium bromide
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Formula C24H18Br2N2OS2
InChI InChI=1S/C24H18BrN2OS2.BrH/c25-19-13-11-18(12-14-19)22(28)23-21(17-9-5-2-6-10-17)26-27-20(15-29-24(27)30-23)16-7-3-1-4-8-16;/h1-15,21,23,26H;1H/q+1;/p-1
InChIKey KNFJUQZWBRMXFJ-UHFFFAOYSA-M
Molecular Weight 574.349 g/mol
SMILES [Br-].N1C(C(Sc2[n+]1c(cs2)-c1ccccc1)C(c1ccc(Br)cc1)=O)c1ccccc1
SPLASH splash10-0zgr-0910000000-e8b452a7fe5dc4aeb61f
Source of Spectrum SO-0-731-7
Synonyms 7-(4-bromobenzoyl)-3,6-diphenyl-6,7-dihydro-5H-[1,3]thiazolo[2,3-b][1,3,4]thiadiazin-4-ium bromide
Wiley ID 1540139