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TRANS-ROTAMER
SpectraBase Compound ID BxFKlGUHLma
InChI InChI=1S/C37H42N2O8/c1-24(40)47-34(20-26-13-17-30(18-14-26)46-23-27-11-7-4-8-12-27)35(42)38-31(19-25-9-5-3-6-10-25)36(43)39-32-22-29(41)16-15-28(32)21-33(39)37(44)45-2/h3-14,17-18,28-29,31-34,41H,15-16,19-23H2,1-2H3,(H,38,42)/t28-,29+,31-,32-,33-,34+/m0/s1
InChIKey NPZUIOHYMOGMCE-CYGPSROHSA-N
Mol Weight 642.7 g/mol
Molecular Formula C37H42N2O8
Exact Mass 642.294116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvTVE6thpxG
Name TRANS-ROTAMER
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H42N2O8
InChI InChI=1S/C37H42N2O8/c1-24(40)47-34(20-26-13-17-30(18-14-26)46-23-27-11-7-4-8-12-27)35(42)38-31(19-25-9-5-3-6-10-25)36(43)39-32-22-29(41)16-15-28(32)21-33(39)37(44)45-2/h3-14,17-18,28-29,31-34,41H,15-16,19-23H2,1-2H3,(H,38,42)/t28-,29+,31-,32-,33-,34+/m0/s1
InChIKey NPZUIOHYMOGMCE-CYGPSROHSA-N
Literature Reference Author N.VALLS,M.VALLRIBERA,M.LOPEZ-CANET,J.BONJOCH
Literature Reference Citation J.ORG.CHEM.,67,4945(2002)
Literature Reference DOI 10.1021/jo025709y
Molecular Weight 642.749 g/mol
Solvent CDCl3
Source File Reference UWVN23392