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MAJOR-ROTAMER
SpectraBase Compound ID 1gcStTQqFz
InChI InChI=1S/C26H33NO6/c1-3-4-5-6-12-24(30)27(2)13-8-10-20-17-22-16-19(28)15-21(32-22)14-18-9-7-11-23(29)25(18)26(31)33-20/h4-9,11-13,19-22,28-29H,3,10,14-17H2,1-2H3/b5-4-,12-6-,13-8+/t19-,20+,21+,22-/m1/s1
InChIKey LDEDNJWNJPSAFO-PDDHWBDVSA-N
Mol Weight 455.6 g/mol
Molecular Formula C26H33NO6
Exact Mass 455.230788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4gXHrQgofd
Name MAJOR-ROTAMER
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H33NO6
InChI InChI=1S/C26H33NO6/c1-3-4-5-6-12-24(30)27(2)13-8-10-20-17-22-16-19(28)15-21(32-22)14-18-9-7-11-23(29)25(18)26(31)33-20/h4-9,11-13,19-22,28-29H,3,10,14-17H2,1-2H3/b5-4-,12-6-,13-8+/t19-,20+,21+,22-/m1/s1
InChIKey LDEDNJWNJPSAFO-PDDHWBDVSA-N
Literature Reference Author A.F.PETRI,F.SASSE,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,1865(2005)
Molecular Weight 455.551 g/mol
Sample ID 39170
Solvent ACETONE-D6