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N,N',N'',N'''-TETRAKIS-[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-PENTASPIRO-[3.1.1.1.1.3.1.1.1.1]-NONADECANE-2,2,14,14-TETRACARBOXAMIDE
SpectraBase Compound ID EguDTjp54vS
InChI InChI=1S/C39H64N4O16/c44-13-34(14-45,15-46)40-25(56)38(26(57)41-35(16-47,17-48)18-49)9-32(10-38)5-30(6-32)1-29(2-30)3-31(4-29)7-33(8-31)11-39(12-33,27(58)42-36(19-50,20-51)21-52)28(59)43-37(22-53,23-54)24-55/h44-55H,1-24H2,(H,40,56)(H,41,57)(H,42,58)(H,43,59)
InChIKey NREKWUAQJVTRBQ-UHFFFAOYSA-N
Mol Weight 845.0 g/mol
Molecular Formula C39H64N4O16
Exact Mass 844.431732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tWB2YxegCd
Name N,N',N'',N'''-TETRAKIS-[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-PENTASPIRO-[3.1.1.1.1.3.1.1.1.1]-NONADECANE-2,2,14,14-TETRACARBOXAMIDE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H64N4O16
InChI InChI=1S/C39H64N4O16/c44-13-34(14-45,15-46)40-25(56)38(26(57)41-35(16-47,17-48)18-49)9-32(10-38)5-30(6-32)1-29(2-30)3-31(4-29)7-33(8-31)11-39(12-33,27(58)42-36(19-50,20-51)21-52)28(59)43-37(22-53,23-54)24-55/h44-55H,1-24H2,(H,40,56)(H,41,57)(H,42,58)(H,43,59)
InChIKey NREKWUAQJVTRBQ-UHFFFAOYSA-N
Literature Reference Author G.R.NEWKOME,X.LIN,C.YAXIONG,G.H.ESCAMILLA
Literature Reference Citation J.ORG.CHEM.,58,3123(1993)
Literature Reference DOI 10.1021/jo00063a036
Molecular Weight 844.954 g/mol
Solvent DMSO-D6
Source File Reference UWRK4196