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WEXBHJNQNIDTSY-UHFFFAOYSA-N

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WEXBHJNQNIDTSY-UHFFFAOYSA-N
SpectraBase Compound ID DRMZCYGImsp
InChI InChI=1S/C30H21N9O12/c40-25(16-1-7-22(8-2-16)37(46)47)31-34-28(43)19-13-20(29(44)35-32-26(41)17-3-9-23(10-4-17)38(48)49)15-21(14-19)30(45)36-33-27(42)18-5-11-24(12-6-18)39(50)51/h1-15H,(H,31,40)(H,32,41)(H,33,42)(H,34,43)(H,35,44)(H,36,45)
InChIKey WEXBHJNQNIDTSY-UHFFFAOYSA-N
Mol Weight 699.55 g/mol
Molecular Formula C30H21N9O12
Exact Mass 699.130967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cjr5sbC4CRj
Name WEXBHJNQNIDTSY-UHFFFAOYSA-N
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H21N9O12
InChI InChI=1S/C30H21N9O12/c40-25(16-1-7-22(8-2-16)37(46)47)31-34-28(43)19-13-20(29(44)35-32-26(41)17-3-9-23(10-4-17)38(48)49)15-21(14-19)30(45)36-33-27(42)18-5-11-24(12-6-18)39(50)51/h1-15H,(H,31,40)(H,32,41)(H,33,42)(H,34,43)(H,35,44)(H,36,45)
InChIKey WEXBHJNQNIDTSY-UHFFFAOYSA-N
Literature Reference Author H.TASHTOUSH,R.SUBAIHI,M.AL-TALIB
Literature Reference Citation MAGN.RES.CHEM.,35,549(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199708)35:8<549::aid-omr131>3.0.co;2-1
Molecular Weight 699.550 g/mol
Solvent DMSO-D6
Source File Reference UWCP4004