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LQGRYILRYXUNIQ-NYYLJDSWSA-N

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LQGRYILRYXUNIQ-NYYLJDSWSA-N
SpectraBase Compound ID EgNRNRQZ7pM
InChI InChI=1S/C21H27N7O8/c1-9-4-27(13-3-10(31)11(5-29)35-13)21(34)26(2)18(9)25-17-14-19(23-7-22-17)28(8-24-14)20-16(33)15(32)12(6-30)36-20/h4,7-8,10-13,15-16,20,29-33H,3,5-6H2,1-2H3/b25-18+/t10-,11+,12-,13+,15-,16-,20-/m0/s1
InChIKey LQGRYILRYXUNIQ-NYYLJDSWSA-N
Mol Weight 505.49 g/mol
Molecular Formula C21H27N7O8
Exact Mass 505.192111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Vm6g2RZVcg
Name LQGRYILRYXUNIQ-NYYLJDSWSA-N
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N7O8
InChI InChI=1S/C21H27N7O8/c1-9-4-27(13-3-10(31)11(5-29)35-13)21(34)26(2)18(9)25-17-14-19(23-7-22-17)28(8-24-14)20-16(33)15(32)12(6-30)36-20/h4,7-8,10-13,15-16,20,29-33H,3,5-6H2,1-2H3/b25-18+/t10-,11+,12-,13+,15-,16-,20-/m0/s1
InChIKey LQGRYILRYXUNIQ-NYYLJDSWSA-N
Literature Reference Author C.SAINTOME,P.CLIVIO,A.FAVRE,J.L.FOURREY
Literature Reference Citation J.ORG.CHEM.,62,8125(1997)
Literature Reference DOI 10.1021/jo971162p
Molecular Weight 505.487 g/mol
Solvent D2O
Source File Reference UWMZ4332