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HMIXCBAAFBFCMF-IWMDDRJTSA-N
SpectraBase Compound ID GSDzt4774sl
InChI InChI=1S/2C21H22F3NO4/c2*1-6-28-19(27)17-15(11(2)3)18(26)29-20(17,21(22,23)24)16-12(4)25(5)14-10-8-7-9-13(14)16/h2*7-10,17H,6H2,1-5H3/t17-,20+;17-,20-/m10/s1
InChIKey HMIXCBAAFBFCMF-IWMDDRJTSA-N
Mol Weight 818.81 g/mol
Molecular Formula C42H44F6N2O8
Exact Mass 818.300185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rlEZ3bSx2L
Name HMIXCBAAFBFCMF-IWMDDRJTSA-N
Compound Number 3B+4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44F6N2O8
InChI InChI=1S/2C21H22F3NO4/c2*1-6-28-19(27)17-15(11(2)3)18(26)29-20(17,21(22,23)24)16-12(4)25(5)14-10-8-7-9-13(14)16/h2*7-10,17H,6H2,1-5H3/t17-,20+;17-,20-/m10/s1
InChIKey HMIXCBAAFBFCMF-IWMDDRJTSA-N
Literature Reference Author C.J.THOMAS,M.A.WALAK,R.R.BIRGE,W.J.LEES
Literature Reference Citation J.ORG.CHEM.,66,1914(2001)
Literature Reference DOI 10.1021/jo005722n
Molecular Weight 818.810 g/mol
Solvent CDCl3
Source File Reference UWMS26249