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7-Methyl-2,4,9-tris(2-pyridyl)-1,3,5-triaza-adamantane
SpectraBase Compound ID KrjHQnJZN2j
InChI InChI=1S/C23H24N6/c1-23-14-27-20(17-8-2-5-11-24-17)28(15-23)22(19-10-4-7-13-26-19)29(16-23)21(27)18-9-3-6-12-25-18/h2-13,20-22H,14-16H2,1H3/t20-,21+,22?,23+
InChIKey PCEAJWBBLDALCG-WUMQOOLASA-N
Mol Weight 384.49 g/mol
Molecular Formula C23H24N6
Exact Mass 384.206245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73HQdT9us3t
Name 7-Methyl-2,4,9-tris(2-pyridyl)-1,3,5-triaza-adamantane
CAS Registry Number 16165-01-8
Comments MIXTURE OF EQ- AND AX-SUBSTITUENTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H24N6
InChI InChI=1S/C23H24N6/c1-23-14-27-20(17-8-2-5-11-24-17)28(15-23)22(19-10-4-7-13-26-19)29(16-23)21(27)18-9-3-6-12-25-18/h2-13,20-22H,14-16H2,1H3/t20-,21+,22?,23+
InChIKey PCEAJWBBLDALCG-WUMQOOLASA-N
Instrument Name Bruker WH-90
Literature Reference A. Edwards, G.A. Webb, Org. Magn. Resonance 11, 103 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3