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3-[6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-1,2-oxazole
SpectraBase Compound ID BKLgtHMcUue
InChI InChI=1S/C14H11N5O2S/c1-8-7-11(18-21-8)12-15-16-14-19(12)17-13(22-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3
InChIKey XQTIJIOCMQVEFI-UHFFFAOYSA-N
Mol Weight 313.34 g/mol
Molecular Formula C14H11N5O2S
Exact Mass 313.063346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bnx6mqA4l7l
Name 3-[6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-1,2-oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N5O2S
InChI InChI=1S/C14H11N5O2S/c1-8-7-11(18-21-8)12-15-16-14-19(12)17-13(22-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3
InChIKey XQTIJIOCMQVEFI-UHFFFAOYSA-N
Molecular Weight 313.335 g/mol
SMILES c1([n]2c(nn1)SC(=N2)c1ccc(cc1)OC)-c1noc(c1)C
SPLASH splash10-0r03-2903000000-fa26fd09b066823c0392
Source of Spectrum QA-47-538-6
Synonyms 3-[6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-isoxazole
Wiley ID 863548