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TP-RE-(CO)-(PME3)-[2,3-ETA-(2)-[2-(4-METHOXYMETHYL-1,4-DIHYDRONAPHTHALEN-1-YL)-MALONIC-ACID-DIMETHYLESTER]]
SpectraBase Compound ID EU80fVLij0G
InChI InChI=1S/C17H18O5.C9H9BN6.C3H9P.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;1-4(2)3;1-2;/h4-7,11,14-15H,10H2,1-3H3;1-9H;1-3H3;;/q;;;;-1/p+1/t11-,14-;;;;/m0..../s1
InChIKey VDEFOXCPRFSSHR-JSKUZVLXSA-O
Mol Weight 805.7 g/mol
Molecular Formula C30H37BN6O6PRe
Exact Mass 806.216277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQuMu2sk9jj
Name TP-RE-(CO)-(PME3)-[2,3-ETA-(2)-[2-(4-METHOXYMETHYL-1,4-DIHYDRONAPHTHALEN-1-YL)-MALONIC-ACID-DIMETHYLESTER]]
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36BN6O6PRe
InChI InChI=1S/C17H18O5.C9H9BN6.C3H9P.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;1-4(2)3;1-2;/h4-7,11,14-15H,10H2,1-3H3;1-9H;1-3H3;;/q;;;;-1/p+1/t11-,14-;;;;/m0..../s1
InChIKey VDEFOXCPRFSSHR-JSKUZVLXSA-O
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 804.643 g/mol
Solvent ACETONE-D6
Source File Reference UWVN21217