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3-(5-methyl-1,3-oxazol-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID CMKsU9yaEJo
InChI InChI=1S/C12H10N4OS/c1-8-10(13-7-17-8)11-14-15-12(18)16(11)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,18)
InChIKey JHNBCBTZJVGBDX-UHFFFAOYSA-N
Mol Weight 258.3 g/mol
Molecular Formula C12H10N4OS
Exact Mass 258.057532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fG6usQtkgC
Name 3-(5-methyl-1,3-oxazol-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Alternate Name(s) 3-(5-methyl-4-oxazolyl)-4-phenyl-1H-1,2,4-triazole-5-thione 3-(5-methyloxazol-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Comments Removed - expert review: contamination (sulfur))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N4OS
InChI InChI=1S/C12H10N4OS/c1-8-10(13-7-17-8)11-14-15-12(18)16(11)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,18)
InChIKey JHNBCBTZJVGBDX-UHFFFAOYSA-N
Molecular Weight 258.299 g/mol
SMILES N1C(N(C(=N1)c1ncoc1C)c1ccccc1)=S
SPLASH splash10-08i0-9660000000-0980f582bea8ac45795a
Source of Spectrum Y-32-1238-10
Wiley ID 1261349