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4-AMINO-5-(4-CHLOROPHENYL)-2-[(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-METHYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
SpectraBase Compound ID DWgDRr8Dm9P
InChI InChI=1S/C11H9ClN6O2S/c12-7-3-1-6(2-4-7)9-16-17(11(19)18(9)13)5-8-14-15-10(21)20-8/h1-4H,5,13H2,(H,15,21)
InChIKey LWNOHRMVMWMHDX-UHFFFAOYSA-N
Mol Weight 324.75 g/mol
Molecular Formula C11H9ClN6O2S
Exact Mass 324.019622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DQW0cnaRAx
Name 4-AMINO-5-(4-CHLOROPHENYL)-2-[(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-METHYL]-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9ClN6O2S
InChI InChI=1S/C11H9ClN6O2S/c12-7-3-1-6(2-4-7)9-16-17(11(19)18(9)13)5-8-14-15-10(21)20-8/h1-4H,5,13H2,(H,15,21)
InChIKey LWNOHRMVMWMHDX-UHFFFAOYSA-N
Literature Reference Author H.BEKTAS,N.KARAALI,D.SAHIN,A.DEMIRBAS,S.A.KARAOGLU,N.DEMIRBA S
Literature Reference Citation MOLECULES,15,2427(2010)
Literature Reference DOI 10.3390/molecules15042427
Molecular Weight 324.744 g/mol
Sample ID 70258
Solvent DMSO-D6