For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[TPRE(CO)(MEIM)(3,4-(2-ETA)-1-METHYL-2-OXABICYCLO-[3.2.0]-HEPTA-3,6-DIENE-6,7-DICARBOXYLIC-ACID-DIMETHYLESTER)]
SpectraBase Compound ID 3wo5HDFA8c1
InChI InChI=1S/2C11H10O5.2C9H9BN6.2C4H6N2.2CO.2Re/c2*1-11-6(4-5-16-11)7(9(12)14-2)8(11)10(13)15-3;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-6-3-2-5-4-6;2*1-2;;/h2*6H,1-3H3;2*1-9H;2*2-4H,1H3;;;;/q;;2*-1;;;;;2*+1/t2*6-,11-;;;;;;;;/m10......../s1
InChIKey FUDYXYPHKKZVEC-HZLCNTQASA-N
Mol Weight 1461.1 g/mol
Molecular Formula C50H50B2N16O12Re2
Exact Mass 1462.309525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID cf35dAhBrZ
Name [TPRE(CO)(MEIM)(3,4-(2-ETA)-1-METHYL-2-OXABICYCLO-[3.2.0]-HEPTA-3,6-DIENE-6,7-DICARBOXYLIC-ACID-DIMETHYLESTER)]
Compound Number 12B+12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H50B2N16O12Re2
InChI InChI=1S/2C11H10O5.2C9H9BN6.2C4H6N2.2CO.2Re/c2*1-11-6(4-5-16-11)7(9(12)14-2)8(11)10(13)15-3;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-6-3-2-5-4-6;2*1-2;;/h2*6H,1-3H3;2*1-9H;2*2-4H,1H3;;;;/q;;2*-1;;;;;2*+1/t2*6-,11-;;;;;;;;/m10......../s1
InChIKey FUDYXYPHKKZVEC-HZLCNTQASA-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 1461.081 g/mol
Sample ID 49229
Solvent CD3CN