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DIHYDROIMIDAZOLIUM-DEGRADANT-OF-POSACONAZOLE

View entire compound with spectra: 2 NMR

DIHYDROIMIDAZOLIUM-DEGRADANT-OF-POSACONAZOLE
SpectraBase Compound ID 3n1nK7nDgtF
InChI InChI=1S/C36H39F2N8O4/c1-3-34(25(2)47)46-35(48)45(23-41-46)30-7-5-28(6-8-30)42-14-15-43(24-42)29-9-11-31(12-10-29)49-18-26-17-36(50-19-26,20-44-22-39-21-40-44)32-13-4-27(37)16-33(32)38/h4-13,16,21-26,34,47H,3,14-15,17-20H2,1-2H3/q+1/t25-,26+,34-,36-/m0/s1
InChIKey ZDJKXQGKWWUBJR-YUYQYMTJSA-N
Mol Weight 685.8 g/mol
Molecular Formula C36H39F2N8O4
Exact Mass 685.306233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fGl2hSf2rr
Name DIHYDROIMIDAZOLIUM-DEGRADANT-OF-POSACONAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H39F2N8O4
InChI InChI=1S/C36H39F2N8O4/c1-3-34(25(2)47)46-35(48)45(23-41-46)30-7-5-28(6-8-30)42-14-15-43(24-42)29-9-11-31(12-10-29)49-18-26-17-36(50-19-26,20-44-22-39-21-40-44)32-13-4-27(37)16-33(32)38/h4-13,16,21-26,34,47H,3,14-15,17-20H2,1-2H3/q+1/t25-,26+,34-,36-/m0/s1
InChIKey ZDJKXQGKWWUBJR-YUYQYMTJSA-N
Literature Reference Author W.FENG,B.D.HILTON,W.ZHONG,J.YANG,X.YANG,W.TONG,G.E.MARTIN
Literature Reference Citation MAGN.RES.CHEM.,50,576(2012)
Literature Reference DOI 10.1002/mrc.3835
Molecular Weight 685.754 g/mol
Solvent DMSO-D6
Source File Reference UWLU82264