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[1-AD-(13)C(O)-P]-NB-[N-[NP]-AR]3;LABELED-VALUE

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[1-AD-(13)C(O)-P]-NB-[N-[NP]-AR]3;LABELED-VALUE
SpectraBase Compound ID EzWGap5QnEs
InChI InChI=1S/3C13H20N.C11H16OP.Nb/c3*1-10-6-11(2)8-12(7-10)14-9-13(3,4)5;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h3*6-8H,9H2,1-5H3;7-9,12H,1-6H2;/q4*-1;+5/p-1/t;;;7-,8+,9-,11-;/i;;;11+1;
InChIKey PUAVORKXEARJSV-MSVYTOEGSA-M
Mol Weight 859.0 g/mol
Molecular Formula C4913CH75N3NbOP
Exact Mass 858.474501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHTbadsB8x6
Name [1-AD-(13)C(O)-P]-NB-[N-[NP]-AR]3;LABELED-VALUE
Compound Number 4-1-AD-(1 3)C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4913CH75N3NbOP
InChI InChI=1S/3C13H20N.C11H16OP.Nb/c3*1-10-6-11(2)8-12(7-10)14-9-13(3,4)5;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h3*6-8H,9H2,1-5H3;7-9,12H,1-6H2;/q4*-1;+5/p-1/t;;;7-,8+,9-,11-;/i;;;11+1;
InChIKey PUAVORKXEARJSV-MSVYTOEGSA-M
Literature Reference Author J.S.FIGUEROA,C.C.CUMMINS
Literature Reference Citation J.AM.CHEM.SOC.,126,13916(2004)
Literature Reference DOI 10.1021/ja0461522
Molecular Weight 859.038 g/mol
Sample ID 36911
Solvent C6D6