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

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3-BENZYL-4-(4-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
SpectraBase Compound ID CLK58BvaePQ
InChI InChI=1S/C16H13N3O3/c20-15(21)12-6-8-13(9-7-12)19-14(17-18-16(19)22)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,20,21)
InChIKey FZGUAKHSRRWLLP-UHFFFAOYSA-N
Mol Weight 295.3 g/mol
Molecular Formula C16H13N3O3
Exact Mass 295.095691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ToHhZe04Zs
Name 3-BENZYL-4-(4-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13N3O3
InChI InChI=1S/C16H13N3O3/c20-15(21)12-6-8-13(9-7-12)19-14(17-18-16(19)22)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,20,21)
InChIKey FZGUAKHSRRWLLP-UHFFFAOYSA-N
Literature Reference Author O.G.KOL,H.YUKSEK
Literature Reference Citation ORIENT.J.CHEM.,26,379(2010)
Molecular Weight 295.298 g/mol
Sample ID 73246
Solvent DMSO-D6