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

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3-PARA-METHYLBENZYL-4-(3-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
SpectraBase Compound ID rBnZKKvoNX
InChI InChI=1S/C17H15N3O3/c1-11-5-7-12(8-6-11)9-15-18-19-17(23)20(15)14-4-2-3-13(10-14)16(21)22/h2-8,10H,9H2,1H3,(H,19,23)(H,21,22)
InChIKey OSWBHQXHCQBNPY-UHFFFAOYSA-N
Mol Weight 309.33 g/mol
Molecular Formula C17H15N3O3
Exact Mass 309.111341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Emr0SACIz5q
Name 3-PARA-METHYLBENZYL-4-(3-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15N3O3
InChI InChI=1S/C17H15N3O3/c1-11-5-7-12(8-6-11)9-15-18-19-17(23)20(15)14-4-2-3-13(10-14)16(21)22/h2-8,10H,9H2,1H3,(H,19,23)(H,21,22)
InChIKey OSWBHQXHCQBNPY-UHFFFAOYSA-N
Literature Reference Author O.G.KOL,H.YUKSEK
Literature Reference Citation ORIENT.J.CHEM.,26,379(2010)
Molecular Weight 309.324 g/mol
Sample ID 73241
Solvent DMSO-D6