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

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1,2-Bis(cyanomethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID JSVHjWkrbGj
InChI InChI=1S/C12H9N5O2/c13-6-8-15-11(18)17(10-4-2-1-3-5-10)12(19)16(15)9-7-14/h1-5H,8-9H2
InChIKey NCRTXBIRPOWNBL-UHFFFAOYSA-N
Mol Weight 255.24 g/mol
Molecular Formula C12H9N5O2
Exact Mass 255.075625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9sJEf0AjLf
Name 1,2-Bis(cyanomethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CAS Registry Number 110191-93-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9N5O2
InChI InChI=1S/C12H9N5O2/c13-6-8-15-11(18)17(10-4-2-1-3-5-10)12(19)16(15)9-7-14/h1-5H,8-9H2
InChIKey NCRTXBIRPOWNBL-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