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(EXO,EXO,EXO)-TRIS-[4-(1-HYDROXYMETHYL-3,5-DIOXO-10-OXA-4-AZA-TRICYCLO-[5.2.1.0(2,6)]-8-DECENYL)-PHENYL]-AMINE
SpectraBase Compound ID 803pwVV98C8
InChI InChI=1S/C45H36N4O12/c50-19-43-16-13-28(59-43)31-34(43)40(56)47(37(31)53)25-7-1-22(2-8-25)46(23-3-9-26(10-4-23)48-38(54)32-29-14-17-44(20-51,60-29)35(32)41(48)57)24-5-11-27(12-6-24)49-39(55)33-30-15-18-45(21-52,61-30)36(33)42(49)58/h1-18,28-36,50-52H,19-21H2/t28-,29-,30+,31?,32?,33?,34?,35?,36?,43-,44-,45+/m0/s1
InChIKey ATWRJZTZZMXXCD-WPPHWDSJSA-N
Mol Weight 824.8 g/mol
Molecular Formula C45H36N4O12
Exact Mass 824.232973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcLeMc66AZm
Name (EXO,EXO,EXO)-TRIS-[4-(1-HYDROXYMETHYL-3,5-DIOXO-10-OXA-4-AZA-TRICYCLO-[5.2.1.0(2,6)]-8-DECENYL)-PHENYL]-AMINE
Compound Number TMPA-FA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H36N4O12
InChI InChI=1S/C45H36N4O12/c50-19-43-16-13-28(59-43)31-34(43)40(56)47(37(31)53)25-7-1-22(2-8-25)46(23-3-9-26(10-4-23)48-38(54)32-29-14-17-44(20-51,60-29)35(32)41(48)57)24-5-11-27(12-6-24)49-39(55)33-30-15-18-45(21-52,61-30)36(33)42(49)58/h1-18,28-36,50-52H,19-21H2/t28-,29-,30+,31?,32?,33?,34?,35?,36?,43-,44-,45+/m0/s1
InChIKey ATWRJZTZZMXXCD-WPPHWDSJSA-N
Literature Reference Author X.ZHANG,Z.C.LI,K.B.LI,F.S.DU,F.M.LI
Literature Reference Citation J.AM.CHEM.SOC.,126,12200(2004)
Literature Reference DOI 10.1021/ja0487527
Molecular Weight 824.800 g/mol
Solvent CDCl3
Source File Reference UWLU35136