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2-(4-Nitrobenzoyl)-3-(4-methoxyphenyl)-6-phenyl-2,3-dihydro-4H-thiazolo[2,3-b][1,3,4]thiadiazin-5-ium bromide
SpectraBase Compound ID D9N1WUMX1ky
InChI InChI=1S/C25H20N3O4S2.BrH/c1-32-20-13-9-17(10-14-20)22-24(23(29)18-7-11-19(12-8-18)28(30)31)34-25-27(26-22)21(15-33-25)16-5-3-2-4-6-16;/h2-15,22,24,26H,1H3;1H/q+1;/p-1
InChIKey HPQAAKYWKAAJDU-UHFFFAOYSA-M
Mol Weight 570.48 g/mol
Molecular Formula C25H20BrN3O4S2
Exact Mass 569.007861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKWpX8mJqhM
Name 2-(4-Nitrobenzoyl)-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 C25H20BrN3O4S2
InChI InChI=1S/C25H20N3O4S2.BrH/c1-32-20-13-9-17(10-14-20)22-24(23(29)18-7-11-19(12-8-18)28(30)31)34-25-27(26-22)21(15-33-25)16-5-3-2-4-6-16;/h2-15,22,24,26H,1H3;1H/q+1;/p-1
InChIKey HPQAAKYWKAAJDU-UHFFFAOYSA-M
Molecular Weight 570.476 g/mol
SMILES [Br-].N1C(C(Sc2[n+]1c(cs2)-c1ccccc1)C(c1ccc(N(=O)=O)cc1)=O)c1ccc(OC)cc1
SPLASH splash10-000x-0952000000-e224ae6baf13b361a908
Source of Spectrum SO-0-731-7
Synonyms 6-(4-Methoxyphenyl)-7-(4-nitrobenzoyl)-3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[2,3-b][1,3,4]thiadiazin-4-ium bromide
Wiley ID 1540141