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WKPVNBVULIHNJF-XQVGUPBHSA-N

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WKPVNBVULIHNJF-XQVGUPBHSA-N
SpectraBase Compound ID 8O3u8OFZ5Bj
InChI InChI=1S/C22H16N8O11/c31-25-20-16-12-2-1-3-15(12)41-29(38)19(16)17-9-4-5-10(6-9)22(17,30(39)40)21(20)23-24(25)18-13(27(34)35)7-11(26(32)33)8-14(18)28(36)37/h1,3-5,7-10,12,15-17H,2,6H2/t9-,10+,12-,15+,16-,17-,22+/m0/s1
InChIKey WKPVNBVULIHNJF-XQVGUPBHSA-N
Mol Weight 568.42 g/mol
Molecular Formula C22H16N8O11
Exact Mass 568.093853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsfcOTxtCik
Name WKPVNBVULIHNJF-XQVGUPBHSA-N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16N8O11
InChI InChI=1S/C22H16N8O11/c31-25-20-16-12-2-1-3-15(12)41-29(38)19(16)17-9-4-5-10(6-9)22(17,30(39)40)21(20)23-24(25)18-13(27(34)35)7-11(26(32)33)8-14(18)28(36)37/h1,3-5,7-10,12,15-17H,2,6H2/t9-,10+,12-,15+,16-,17-,22+/m0/s1
InChIKey WKPVNBVULIHNJF-XQVGUPBHSA-N
Literature Reference Author D.VICHARD,T.BOUBAKER,F.TERRIER,M.J.POUET,J.M.DUST,E.BUNCEL
Literature Reference Citation CAN.J.CHEM.,79,1617(2001)
Literature Reference DOI 10.1139/cjc-79-11-1617
Molecular Weight 568.416 g/mol
Solvent CD3CN
Source File Reference UWSI16217