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

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3-CYCLOPROPYL-4-(4-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
SpectraBase Compound ID 7SAZmzu3MvI
InChI InChI=1S/C12H11N3O3/c16-11(17)8-3-5-9(6-4-8)15-10(7-1-2-7)13-14-12(15)18/h3-7H,1-2H2,(H,14,18)(H,16,17)
InChIKey ARZNFQIWCQWFHL-UHFFFAOYSA-N
Mol Weight 245.24 g/mol
Molecular Formula C12H11N3O3
Exact Mass 245.080041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vOwhTXfwr4
Name 3-CYCLOPROPYL-4-(4-CARBOXYPHENYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c16-11(17)8-3-5-9(6-4-8)15-10(7-1-2-7)13-14-12(15)18/h3-7H,1-2H2,(H,14,18)(H,16,17)
InChIKey ARZNFQIWCQWFHL-UHFFFAOYSA-N
Literature Reference Author O.G.KOL,H.YUKSEK
Literature Reference Citation ORIENT.J.CHEM.,26,379(2010)
Molecular Weight 245.238 g/mol
Sample ID 73250
Solvent DMSO-D6