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MAJOR-ROTAMER
SpectraBase Compound ID 3G529DpQysI
InChI InChI=1S/C39H48FN5O4/c1-38(2,3)42-36(47)31-24-43(23-27-14-11-17-41-22-27)18-19-44(31)25-32(46)34(40)30(20-26-12-7-6-8-13-26)37(48)45-35-29-16-10-9-15-28(29)21-33(35)49-39(45,4)5/h6-17,22,30-31,33-35H,18-21,23-25H2,1-5H3,(H,42,47)/t30-,31-,33+,34-,35-/m0/s1
InChIKey YQLYJJSYWWROHI-CVNYJJDFSA-N
Mol Weight 669.8 g/mol
Molecular Formula C39H48FN5O4
Exact Mass 669.369033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UKEn1xOT1I
Name MAJOR-ROTAMER
Compound Number ANTI-#4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H48FN5O4
InChI InChI=1S/C39H48FN5O4/c1-38(2,3)42-36(47)31-24-43(23-27-14-11-17-41-22-27)18-19-44(31)25-32(46)34(40)30(20-26-12-7-6-8-13-26)37(48)45-35-29-16-10-9-15-28(29)21-33(35)49-39(45,4)5/h6-17,22,30-31,33-35H,18-21,23-25H2,1-5H3,(H,42,47)/t30-,31-,33+,34-,35-/m0/s1
InChIKey YQLYJJSYWWROHI-CVNYJJDFSA-N
Literature Reference Author A.G.MYERS,J.K.BARBAY
Literature Reference Citation ORG.LETTERS,3,425(2001)
Literature Reference DOI 10.1021/ol006931x
Molecular Weight 669.840 g/mol
Solvent CDCl3
Source File Reference UWLU35411