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3-[6-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-1,2-oxazole
SpectraBase Compound ID IOQMKIyokmS
InChI InChI=1S/C13H8BrN5OS/c1-7-6-10(18-20-7)11-15-16-13-19(11)17-12(21-13)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKey AZWHAUCWWYAYMK-UHFFFAOYSA-N
Mol Weight 362.21 g/mol
Molecular Formula C13H8BrN5OS
Exact Mass 360.963294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8mWwjAlmPX
Name 3-[6-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-1,2-oxazole
Alternate Name(s) 3-[6-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8BrN5OS
InChI InChI=1S/C13H8BrN5OS/c1-7-6-10(18-20-7)11-15-16-13-19(11)17-12(21-13)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKey AZWHAUCWWYAYMK-UHFFFAOYSA-N
Molecular Weight 362.205 g/mol
SMILES c1([n]2c(nn1)SC(=N2)c1ccc(cc1)Br)-c1noc(c1)C
SPLASH splash10-03di-0329000000-ec4c2e2852a7d64763c5
Source of Spectrum QA-47-538-6
Wiley ID 863549