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TRANS-ROTAMER

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TRANS-ROTAMER
SpectraBase Compound ID 3Xy8ljuKiXM
InChI InChI=1S/C24H34N2O6/c1-24(2,3)32-23(30)25-18(12-15-8-6-5-7-9-15)21(28)26-19-14-17(27)11-10-16(19)13-20(26)22(29)31-4/h5-9,16-20,27H,10-14H2,1-4H3,(H,25,30)/t16-,17+,18-,19-,20-/m0/s1
InChIKey JTQGCEWXRPWKAF-WPVAHCMFSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H34N2O6
Exact Mass 446.241687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ToXH8vUuPp
Name CIS-ROTAMER
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H34N2O6
InChI InChI=1S/C24H34N2O6/c1-24(2,3)32-23(30)25-18(12-15-8-6-5-7-9-15)21(28)26-19-14-17(27)11-10-16(19)13-20(26)22(29)31-4/h5-9,16-20,27H,10-14H2,1-4H3,(H,25,30)/t16-,17+,18-,19-,20-/m0/s1
InChIKey JTQGCEWXRPWKAF-WPVAHCMFSA-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 446.544 g/mol
Solvent CDCl3
Source File Reference UWVN23387