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XVFBVABQBQOTOK-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

XVFBVABQBQOTOK-UHFFFAOYSA-N
SpectraBase Compound ID IbRg0pZN1b5
InChI InChI=1S/3C12H18N.C7H7.Ti/c3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;1-7-5-3-2-4-6-7;/h3*6-8H,1-5H3;2-6H,1H2;/q3*-1;;+3
InChIKey XVFBVABQBQOTOK-UHFFFAOYSA-N
Mol Weight 667.8 g/mol
Molecular Formula C43H61N3Ti
Exact Mass 667.43449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOTTOI9yTyi
Name XVFBVABQBQOTOK-UHFFFAOYSA-N
Compound Number 2-BZ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H61N3Ti
InChI InChI=1S/3C12H18N.C7H7.Ti/c3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;1-7-5-3-2-4-6-7;/h3*6-8H,1-5H3;2-6H,1H2;/q3*-1;;+3
InChIKey XVFBVABQBQOTOK-UHFFFAOYSA-N
Literature Reference Author T.AGAPIE,P.L.DIACONESCU,C.C.CUMMINS
Literature Reference Citation J.AM.CHEM.SOC.,124,2412(2002)
Literature Reference DOI 10.1021/ja017278r
Molecular Weight 667.857 g/mol
Sample ID 47860
Solvent CDCl3