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[TPRE(CO)(MEIM)(3,4-(2-ETA)-1,3-DIMETHYL-2-OXABICYCLO-[3.2.0]-HEPTA-3,6-DIENE-6,7-DICARBOXYLIC-ACID-DIMETHYLESTER)]
SpectraBase Compound ID Gq8HBPQNUnq
InChI InChI=1S/C12H13O5.C9H9BN6.C4H6N2.CO.Re/c1-6-5-7-8(10(13)15-3)9(11(14)16-4)12(7,2)17-6;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-6-3-2-5-4-6;1-2;/h7H,1-4H3;1-9H;2-4H,1H3;;/q;-1;;;+1/t7-,12-;;;;/m0..../s1
InChIKey RJQLPTMRLGHWCN-JQLAKUJVSA-N
Mol Weight 745.6 g/mol
Molecular Formula C26H28BN8O6Re
Exact Mass 746.178238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ruVz16trcn
Name [TPRE(CO)(MEIM)(3,4-(2-ETA)-1,3-DIMETHYL-2-OXABICYCLO-[3.2.0]-HEPTA-3,6-DIENE-6,7-DICARBOXYLIC-ACID-DIMETHYLESTER)]
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28BN8O6Re
InChI InChI=1S/C12H13O5.C9H9BN6.C4H6N2.CO.Re/c1-6-5-7-8(10(13)15-3)9(11(14)16-4)12(7,2)17-6;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-6-3-2-5-4-6;1-2;/h7H,1-4H3;1-9H;2-4H,1H3;;/q;-1;;;+1/t7-,12-;;;;/m0..../s1
InChIKey RJQLPTMRLGHWCN-JQLAKUJVSA-N
Literature Reference Author L.A.FRIEDMAN,M.SABAT,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,124,7395(2002)
Literature Reference DOI 10.1021/ja020137k
Molecular Weight 745.575 g/mol
Sample ID 49231
Solvent CD3CN