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Azacrine dication

View entire compound with spectra: 1 NMR

Azacrine dication
SpectraBase Compound ID 5NQW418IJ1K
InChI InChI=1S/C22H29ClN4O/c1-5-27(6-2)13-7-8-15(3)24-21-17-10-9-16(23)14-19(17)25-18-11-12-20(28-4)26-22(18)21/h9-12,14-15H,5-8,13H2,1-4H3,(H,24,25)/p+2
InChIKey SZCYLYPAEMYVDF-UHFFFAOYSA-P
Mol Weight 402.97 g/mol
Molecular Formula C22H31ClN4O
Exact Mass 402.218639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Q7Z5BfCjA1
Name Azacrine dication
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H31ClN4O
InChI InChI=1S/C22H29ClN4O/c1-5-27(6-2)13-7-8-15(3)24-21-17-10-9-16(23)14-19(17)25-18-11-12-20(28-4)26-22(18)21/h9-12,14-15H,5-8,13H2,1-4H3,(H,24,25)/p+2
InChIKey SZCYLYPAEMYVDF-UHFFFAOYSA-P
Instrument Name Jeol FX-60
Literature Reference B.G. Griggs, D. Wilson, D.W. Boykin, Org. Magn. Resonance 11, 81 (1978).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O