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2-(1-Cyanoethyl)-1-cyanomethyl-4-phenyl-1,2,4-triazolidine-3,5-dione

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2-(1-Cyanoethyl)-1-cyanomethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID A3iz3UDnmxO
InChI InChI=1S/C13H11N5O2/c1-10(9-15)18-13(20)17(11-5-3-2-4-6-11)12(19)16(18)8-7-14/h2-6,10H,8H2,1H3
InChIKey GGEQQMBRGMUUPQ-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C13H11N5O2
Exact Mass 269.091275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFAqvEUxLpK
Name 2-(1-Cyanoethyl)-1-cyanomethyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11N5O2
InChI InChI=1S/C13H11N5O2/c1-10(9-15)18-13(20)17(11-5-3-2-4-6-11)12(19)16(18)8-7-14/h2-6,10H,8H2,1H3
InChIKey GGEQQMBRGMUUPQ-UHFFFAOYSA-N
Instrument Name Bruker WH-400
Literature Reference K. Banert, Angew. Chem. 99, 932 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3