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2,3-dicyano-5-keto-1,4,9,10-tetrazaspiro[5.5]undeca-2,7,10-triene-7-carboxylic acid

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2,3-dicyano-5-keto-1,4,9,10-tetrazaspiro[5.5]undeca-2,7,10-triene-7-carboxylic acid
SpectraBase Compound ID 5S3sYNsyjzN
InChI InChI=1S/C10H6N6O3/c11-1-6-7(2-12)16-10(9(19)15-6)4-14-13-3-5(10)8(17)18/h3-4,13,16H,(H,15,19)(H,17,18)
InChIKey SEZBKYLREJDQMG-UHFFFAOYSA-N
Mol Weight 258.2 g/mol
Molecular Formula C10H6N6O3
Exact Mass 258.050138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BenPIKe5le4
Name 1,4,8,9-Tetraaza-2,3-dicyano-5-oxo-spiro(5.5)undeca-2,7,10-triene-11-carboxylic acid
CAS Registry Number 84957-95-9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C10H6N6O3
InChI InChI=1S/C10H6N6O3/c11-1-6-7(2-12)16-10(9(19)15-6)4-14-13-3-5(10)8(17)18/h3-4,13,16H,(H,15,19)(H,17,18)
InChIKey SEZBKYLREJDQMG-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference R. Nesi, S. Chimichi, F. De Sio, Org. Magn. Resonance 21, 42 (1983).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6