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2-(4-Phenylbenzoyl)-3-(4-methoxyphenyl)-6-phenyl-2,3-dihydro-4H-thiazolo[2,3-b][1,3,4]thiadiazin-5-ium bromide
SpectraBase Compound ID ATw8ux38s5B
InChI InChI=1S/C31H25N2O2S2.BrH/c1-35-26-18-16-24(17-19-26)28-30(29(34)25-14-12-22(13-15-25)21-8-4-2-5-9-21)37-31-33(32-28)27(20-36-31)23-10-6-3-7-11-23;/h2-20,28,30,32H,1H3;1H/q+1;/p-1
InChIKey OVGMVSCMMPELNN-UHFFFAOYSA-M
Mol Weight 601.58 g/mol
Molecular Formula C31H25BrN2O2S2
Exact Mass 600.054083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwAPmRduJwm
Name 2-(4-Phenylbenzoyl)-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 C31H25BrN2O2S2
InChI InChI=1S/C31H25N2O2S2.BrH/c1-35-26-18-16-24(17-19-26)28-30(29(34)25-14-12-22(13-15-25)21-8-4-2-5-9-21)37-31-33(32-28)27(20-36-31)23-10-6-3-7-11-23;/h2-20,28,30,32H,1H3;1H/q+1;/p-1
InChIKey OVGMVSCMMPELNN-UHFFFAOYSA-M
Molecular Weight 601.577 g/mol
SMILES [Br-].N1C(C(Sc2[n+]1c(cs2)-c1ccccc1)C(c1ccc(-c2ccccc2)cc1)=O)c1ccc(OC)cc1
SPLASH splash10-0f89-0900000000-2f0216071c389ac78774
Source of Spectrum SO-0-731-7
Synonyms 7-([1,1'-biphenyl]-4-ylcarbonyl)-6-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[2,3-b][1,3,4]thiadiazin-4-ium bromide
Wiley ID 1540140