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TRANS-ROTAMER

View entire compound with spectra: 2 NMR

TRANS-ROTAMER
SpectraBase Compound ID BWLFcBYtVwK
InChI InChI=1S/C26H33F3N2O7/c1-25(2,3)38-24(35)30-18(12-15-8-6-5-7-9-15)21(32)31-19-14-17(37-23(34)26(27,28)29)11-10-16(19)13-20(31)22(33)36-4/h5-9,16-20H,10-14H2,1-4H3,(H,30,35)/t16-,17+,18-,19-,20-/m0/s1
InChIKey UMPGKPTWZYIUHB-WPVAHCMFSA-N
Mol Weight 542.6 g/mol
Molecular Formula C26H33F3N2O7
Exact Mass 542.223986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LtuUOWU0ox
Name TRANS-ROTAMER
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H33F3N2O7
InChI InChI=1S/C26H33F3N2O7/c1-25(2,3)38-24(35)30-18(12-15-8-6-5-7-9-15)21(32)31-19-14-17(37-23(34)26(27,28)29)11-10-16(19)13-20(31)22(33)36-4/h5-9,16-20H,10-14H2,1-4H3,(H,30,35)/t16-,17+,18-,19-,20-/m0/s1
InChIKey UMPGKPTWZYIUHB-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 542.552 g/mol
Solvent CDCl3
Source File Reference UWVN23390