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3-METHYL-4-(4-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE

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3-METHYL-4-(4-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
SpectraBase Compound ID 1zaJkM2Qx9D
InChI InChI=1S/C10H9N3O3/c1-6-11-12-10(16)13(6)8-4-2-7(3-5-8)9(14)15/h2-5H,1H3,(H,12,16)(H,14,15)
InChIKey GXAGIBGJTKCIRH-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C10H9N3O3
Exact Mass 219.064391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9clbfRFJKSe
Name 3-METHYL-4-(4-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9N3O3
InChI InChI=1S/C10H9N3O3/c1-6-11-12-10(16)13(6)8-4-2-7(3-5-8)9(14)15/h2-5H,1H3,(H,12,16)(H,14,15)
InChIKey GXAGIBGJTKCIRH-UHFFFAOYSA-N
Literature Reference Author O.G.KOL,H.YUKSEK
Literature Reference Citation ORIENT.J.CHEM.,26,379(2010)
Molecular Weight 219.200 g/mol
Sample ID 73245
Solvent DMSO-D6