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3-(5-Methylisoxazol-3-yl)-6-(p-methylphenyl)-7H-s-triazolo[3,4-b]-1,3,4-thiadiazole
SpectraBase Compound ID 27HExCyHOIm
InChI InChI=1S/C14H11N5OS/c1-8-3-5-10(6-4-8)13-17-19-12(15-16-14(19)21-13)11-7-9(2)20-18-11/h3-7H,1-2H3
InChIKey HEZDBEGLJXIDGO-UHFFFAOYSA-N
Mol Weight 297.34 g/mol
Molecular Formula C14H11N5OS
Exact Mass 297.068431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9Fwjux8Wtv
Name 3-(5-Methylisoxazol-3-yl)-6-(p-methylphenyl)-s-triazolo-[3,4-b]-1,3,4-thiadiazole
Alternate Name(s) 5-Methyl-3-(6-(p-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N5OS
InChI InChI=1S/C14H11N5OS/c1-8-3-5-10(6-4-8)13-17-19-12(15-16-14(19)21-13)11-7-9(2)20-18-11/h3-7H,1-2H3
InChIKey HEZDBEGLJXIDGO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000071
Molecular Weight 297.336 g/mol
SMILES c12SC(=N[n]2c(nn1)-c1noc(c1)C)c1ccc(cc1)C
SPLASH splash10-052n-2940000000-f29561b9c05bf37b826d
Source of Spectrum QA-47-538-6d
Wiley ID 1795114