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Anhydro-5-cyano-1,3-dicyclohexyl-4-hydroxy-6-oxo-pyrimidine betaine

View entire compound with spectra: 1 NMR

Anhydro-5-cyano-1,3-dicyclohexyl-4-hydroxy-6-oxo-pyrimidine betaine
SpectraBase Compound ID 7v7m5MRlFfv
InChI InChI=1S/C17H23N3O2/c18-11-15-16(21)19(13-7-3-1-4-8-13)12-20(17(15)22)14-9-5-2-6-10-14/h12-14H,1-10H2
InChIKey MQMHKDIZCZCEPK-UHFFFAOYSA-N
Mol Weight 301.39 g/mol
Molecular Formula C17H23N3O2
Exact Mass 301.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwOTs8ElXDP
Name Anhydro-5-cyano-1,3-dicyclohexyl-4-hydroxy-6-oxo-pyrimidine betaine
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H23N3O2
InChI InChI=1S/C17H23N3O2/c18-11-15-16(21)19(13-7-3-1-4-8-13)12-20(17(15)22)14-9-5-2-6-10-14/h12-14H,1-10H2
InChIKey MQMHKDIZCZCEPK-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference H.W. Moore, L. Hernandez, D.M. Kunert, J. Am. Chem. Soc. 103, 1769 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3