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IMPURITY-2

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IMPURITY-2
SpectraBase Compound ID 2HJhmmJWfk
InChI InChI=1S/C35H37F8N5O2/c1-20-13-26(36)5-7-28(20)30-18-44-9-10-47(30)33(50)46-11-12-48(31(19-46)29-8-6-27(37)14-21(29)2)32(49)45(4)22(3)23-15-24(34(38,39)40)17-25(16-23)35(41,42)43/h5-8,13-17,22,30-31,44H,9-12,18-19H2,1-4H3/t22-,30-,31-/m1/s1
InChIKey WZWVAJUBGPVGHJ-GYBHTYNJSA-N
Mol Weight 711.7 g/mol
Molecular Formula C35H37F8N5O2
Exact Mass 711.281951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUbUQFXofQ8
Name IMPURITY-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H37F8N5O2
InChI InChI=1S/C35H37F8N5O2/c1-20-13-26(36)5-7-28(20)30-18-44-9-10-47(30)33(50)46-11-12-48(31(19-46)29-8-6-27(37)14-21(29)2)32(49)45(4)22(3)23-15-24(34(38,39)40)17-25(16-23)35(41,42)43/h5-8,13-17,22,30-31,44H,9-12,18-19H2,1-4H3/t22-,30-,31-/m1/s1
InChIKey WZWVAJUBGPVGHJ-GYBHTYNJSA-N
Literature Reference Author S.PROVERA,G.GUERCIO,L.TURCO,O.CURCURUTO,G.ALVARO,T.ROSSI,C.M ARCHIORO
Literature Reference Citation MAGN.RES.CHEM.,48,523(2010)
Literature Reference DOI 10.1002/mrc.2611
Molecular Weight 711.698 g/mol
Solvent DMSO-D6
Source File Reference UWIR16560