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KAVOREDPJAANSD-IALSDCLZSA-N

View entire compound with spectra: 1 NMR

KAVOREDPJAANSD-IALSDCLZSA-N
SpectraBase Compound ID DeNY0Q00pTF
InChI InChI=1S/C10H13O2.C6H7BN4.2C4H6N2.CO.Re/c1-6-4-9(7(2)11)5-10(6)8(3)12;1-3-8-10(5-1)7-11-6-2-4-9-11;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2;/h9-10H,5H2,1-3H3;1-7H;2*2-4H,1H3;;/t9-,10+;;;;;/m0...../s1
InChIKey KAVOREDPJAANSD-IALSDCLZSA-N
Mol Weight 689.6 g/mol
Molecular Formula C25H32BN8O3Re
Exact Mass 690.224794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lsKzWJBd3G
Name KAVOREDPJAANSD-IALSDCLZSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32BN8O3Re
InChI InChI=1S/C10H13O2.C6H7BN4.2C4H6N2.CO.Re/c1-6-4-9(7(2)11)5-10(6)8(3)12;1-3-8-10(5-1)7-11-6-2-4-9-11;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2;/h9-10H,5H2,1-3H3;1-7H;2*2-4H,1H3;;/t9-,10+;;;;;/m0...../s1
InChIKey KAVOREDPJAANSD-IALSDCLZSA-N
Literature Reference Author L.A.FRIEDMAN,F.YOU,M.SABAT,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,125,14980(2003)
Literature Reference DOI 10.1021/ja0304143
Molecular Weight 689.598 g/mol
Sample ID 35343
Solvent CD3CN