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MHPVHAUXGMMBPL-JCRQSTBCSA-L

View entire compound with spectra: 1 NMR

MHPVHAUXGMMBPL-JCRQSTBCSA-L
SpectraBase Compound ID IWHSKqCHqnR
InChI InChI=1S/C9H9BN6.C6H8N.CHCl3.2ClH.Os/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-6-4-3-5(1)7-6;2-1(3)4;;;/h1-9H;1-2,5-6H,3-4H2;1H;2*1H;/q;-1;;;;+3/p-2/t;5-,6+;;;;/i;;1D;;;
InChIKey MHPVHAUXGMMBPL-JCRQSTBCSA-L
Mol Weight 687.7 g/mol
Molecular Formula C16H172HBCl5N7Os
Exact Mass 686.983694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BUQxYKdey2
Name MHPVHAUXGMMBPL-JCRQSTBCSA-L
Compound Number 2A*CDCL3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H172HBCl5N7Os
InChI InChI=1S/C9H9BN6.C6H8N.CHCl3.2ClH.Os/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-6-4-3-5(1)7-6;2-1(3)4;;;/h1-9H;1-2,5-6H,3-4H2;1H;2*1H;/q;-1;;;;+3/p-2/t;5-,6+;;;;/i;;1D;;;
InChIKey MHPVHAUXGMMBPL-JCRQSTBCSA-L
Literature Reference Author A.G.MAESTRI,K.S.CHERRY,J.J.TOBONI,S.N.BROWN
Literature Reference Citation J.AM.CHEM.SOC.,123,7459(2001)
Literature Reference DOI 10.1021/ja016111v
Molecular Weight 687.647 g/mol
Solvent CDCl3
Source File Reference UWVN28580