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8-CYANO-7-METHYL-5-PHENYL-2,3-DIHYDRO-2-THIOXO-1,2,4-TRIAZOLO-[4,3-A]-PYRIDINE
SpectraBase Compound ID EcEd75yC5S9
InChI InChI=1S/C14H10N4S/c1-9-7-12(10-5-3-2-4-6-10)18-13(11(9)8-15)16-17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKey OXRCDPHWRLESGV-UHFFFAOYSA-N
Mol Weight 266.32 g/mol
Molecular Formula C14H10N4S
Exact Mass 266.062618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E68SspT1WoP
Name 8-CYANO-7-METHYL-5-PHENYL-2,3-DIHYDRO-2-THIOXO-1,2,4-TRIAZOLO-[4,3-A]-PYRIDINE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H10N4S
InChI InChI=1S/C14H10N4S/c1-9-7-12(10-5-3-2-4-6-10)18-13(11(9)8-15)16-17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKey OXRCDPHWRLESGV-UHFFFAOYSA-N
Literature Reference Author S.A.AL-ISSA
Literature Reference Citation MOLECULES,17,10902(2012)
Literature Reference DOI 10.3390/molecules170910902
Molecular Weight 266.320 g/mol
Sample ID 663
Solvent DMSO-D6