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LSNMDYOHPSCDDS-QFVDNJQISA-L

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LSNMDYOHPSCDDS-QFVDNJQISA-L
SpectraBase Compound ID 534aH5WaAI7
InChI InChI=1S/C14H14NO.C13H12N2.BF4.2ClH.Ru/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-12-14(2)10-11-15(12)9-8-13-6-4-3-5-7-13;2-1(3,4)5;;;/h1-10,13-16H;10-11H,8-9H2,1-2H3;;2*1H;/q-1;+1;-1;;;+3/p-2/t13-,14+;;;;;/m1...../s1
InChIKey LSNMDYOHPSCDDS-QFVDNJQISA-L
Mol Weight 667.31 g/mol
Molecular Formula C27H26BCl2F4N3ORu
Exact Mass 667.052551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMVwQGqbFjQ
Name LSNMDYOHPSCDDS-QFVDNJQISA-L
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26BCl2F4N3ORu
InChI InChI=1S/C14H14NO.C13H12N2.BF4.2ClH.Ru/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-12-14(2)10-11-15(12)9-8-13-6-4-3-5-7-13;2-1(3,4)5;;;/h1-10,13-16H;10-11H,8-9H2,1-2H3;;2*1H;/q-1;+1;-1;;;+3/p-2/t13-,14+;;;;;/m1...../s1
InChIKey LSNMDYOHPSCDDS-QFVDNJQISA-L
Literature Reference Author T.J.GELDBACH,P.J.DYSON
Literature Reference Citation J.AM.CHEM.SOC.,126,8114(2004)
Literature Reference DOI 10.1021/ja048886k
Molecular Weight 667.303 g/mol
Solvent CD3NO2
Source File Reference UWVN31449