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2-Benzoyl-3-(4-methoxyphenyl)-6-phenyl-2,3-dihydro-4H-thiazolo[2,3-b][1,3,4]thiadiazin-5-ium bromide
SpectraBase Compound ID G2rsKCmFdnt
InChI InChI=1S/C25H21N2O2S2.BrH/c1-29-20-14-12-18(13-15-20)22-24(23(28)19-10-6-3-7-11-19)31-25-27(26-22)21(16-30-25)17-8-4-2-5-9-17;/h2-16,22,24,26H,1H3;1H/q+1;/p-1
InChIKey QEWIXVNLEUFKMM-UHFFFAOYSA-M
Mol Weight 525.48 g/mol
Molecular Formula C25H21BrN2O2S2
Exact Mass 524.022783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3a74s7u7o4J
Name 2-Benzoyl-3-(4-methoxyphenyl)-6-phenyl-2,3-dihydro-4H-thiazolo[2,3-b][1,3,4]thiadiazin-5-ium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21BrN2O2S2
InChI InChI=1S/C25H21N2O2S2.BrH/c1-29-20-14-12-18(13-15-20)22-24(23(28)19-10-6-3-7-11-19)31-25-27(26-22)21(16-30-25)17-8-4-2-5-9-17;/h2-16,22,24,26H,1H3;1H/q+1;/p-1
InChIKey QEWIXVNLEUFKMM-UHFFFAOYSA-M
Molecular Weight 525.479 g/mol
SMILES [Br-].N1C(C(Sc2[n+]1c(cs2)-c1ccccc1)C(=O)c1ccccc1)c1ccc(OC)cc1
SPLASH splash10-0a5c-1900000000-a96c978817a62d7e9a0c
Source of Spectrum SO-0-731-7
Synonyms 7-Benzoyl-6-(4-methoxyphenyl)-3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[2,3-b][1,3,4]thiadiazin-4-ium bromide
Wiley ID 1540144