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3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2,4-thiadiazole-5-carbonitrile
SpectraBase Compound ID Ko5hCfBjoZX
InChI InChI=1S/C14H11N5S/c1-9-13(14-16-12(8-15)20-18-14)10(2)19(17-9)11-6-4-3-5-7-11/h3-7H,1-2H3
InChIKey AEAXAOAXEIEWJT-UHFFFAOYSA-N
Mol Weight 281.34 g/mol
Molecular Formula C14H11N5S
Exact Mass 281.073517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9H4tbw7V1jA
Name 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2,4-thiadiazole-5-carbonitrile
Alternate Name(s) 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1,2,4-thiadiazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N5S
InChI InChI=1S/C14H11N5S/c1-9-13(14-16-12(8-15)20-18-14)10(2)19(17-9)11-6-4-3-5-7-11/h3-7H,1-2H3
InChIKey AEAXAOAXEIEWJT-UHFFFAOYSA-N
Molecular Weight 281.337 g/mol
SMILES c1(nsc(n1)C#N)-c1c(n[n](c1C)-c1ccccc1)C
SPLASH splash10-003r-8190000000-ae756cd91f69db5df339
Source of Spectrum E2-48-162-5
Wiley ID 1555125