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TP-RE-(CO)-(PYRIDINE)-[2,3-ETA-(2)-[2-(4-METHOXYMETHYL-1,4-DIHYDRONAPHTHALEN-1-YL)-MALONIC-ACID-DIMETHYLESTER]]
SpectraBase Compound ID KIvLYJ07lhe
InChI InChI=1S/C17H18O5.C9H9BN6.C5H5N.CO.Re/c1-20-10-11-8-9-14(13-7-5-4-6-12(11)13)15(16(18)21-2)17(19)22-3;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-4-6-5-3-1;1-2;/h4-7,11,14-15H,10H2,1-3H3;1-9H;1-5H;;/t11-,14-;;;;/m1..../s1
InChIKey NBTCLUUPPJIQQY-SXSVIZTBSA-N
Mol Weight 807.7 g/mol
Molecular Formula C32H32BN7O6Re
Exact Mass 808.206464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWtE9Prk8ut
Name TP-RE-(CO)-(PYRIDINE)-[2,3-ETA-(2)-[2-(4-METHOXYMETHYL-1,4-DIHYDRONAPHTHALEN-1-YL)-MALONIC-ACID-DIMETHYLESTER]]
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H32BN7O6Re
InChI InChI=1S/C17H18O5.C9H9BN6.C5H5N.CO.Re/c1-20-10-11-8-9-14(13-7-5-4-6-12(11)13)15(16(18)21-2)17(19)22-3;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-4-6-5-3-1;1-2;/h4-7,11,14-15H,10H2,1-3H3;1-9H;1-5H;;/t11-,14-;;;;/m1..../s1
InChIKey NBTCLUUPPJIQQY-SXSVIZTBSA-N
Literature Reference Author F.DING,M.T.VALAHOVIC,J.M.KEANE,M.R.ANSTEY,M.SABAT,C.O.TRINDL E,W.D.HARMAN
Literature Reference Citation J.ORG.CHEM.,69,2257(2004)
Literature Reference DOI 10.1021/jo030318k
Molecular Weight 807.666 g/mol
Solvent ACETONE-D6
Source File Reference UWVN21216