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GCEOWVCWJMMIAY-BFXNMOBZSA-N

View entire compound with spectra: 2 NMR

GCEOWVCWJMMIAY-BFXNMOBZSA-N
SpectraBase Compound ID 6caQf7JUhgN
InChI InChI=1S/C36H40F2N8O4/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/h4-13,16,21-23,25-26,34,47H,3,14-15,17-20,24H2,1-2H3/t25?,26?,34-,36+/m0/s1
InChIKey GCEOWVCWJMMIAY-BFXNMOBZSA-N
Mol Weight 686.8 g/mol
Molecular Formula C36H40F2N8O4
Exact Mass 686.314058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9O0QPPA7J9M
Name GCEOWVCWJMMIAY-BFXNMOBZSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40F2N8O4
InChI InChI=1S/C36H40F2N8O4/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/h4-13,16,21-23,25-26,34,47H,3,14-15,17-20,24H2,1-2H3/t25?,26?,34-,36+/m0/s1
InChIKey GCEOWVCWJMMIAY-BFXNMOBZSA-N
Literature Reference Author W.ZHONG,X.YANG,W.TONG,G.E.MARTIN
Literature Reference Citation J.PHARM.BIOM.ANAL.,66,40(2012)
Literature Reference DOI 10.1016/j.jpba.2012.02.023
Molecular Weight 686.762 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44078