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KW-2189-N3-ADENINE-ADDUCT

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KW-2189-N3-ADENINE-ADDUCT
SpectraBase Compound ID cspZ9aiiGA
InChI InChI=1S/C37H40N10O8/c1-18-25(36(49)54-6)27-26-20(14-46-17-41-33(38)30-34(46)40-16-39-30)15-47(22(26)13-23(29(27)42-18)55-37(50)45-9-7-44(2)8-10-45)35(48)21-11-19-12-24(51-3)31(52-4)32(53-5)28(19)43-21/h11-13,16-17,20,42-43H,7-10,14-15,38H2,1-6H3/t20-/m1/s1
InChIKey WOFWDHGGFUCQBB-HXUWFJFHSA-N
Mol Weight 752.8 g/mol
Molecular Formula C37H40N10O8
Exact Mass 752.303058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MwUGWEfjIA
Name KW-2189-N3-ADENINE-ADDUCT
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H40N10O8
InChI InChI=1S/C37H40N10O8/c1-18-25(36(49)54-6)27-26-20(14-46-17-41-33(38)30-34(46)40-16-39-30)15-47(22(26)13-23(29(27)42-18)55-37(50)45-9-7-44(2)8-10-45)35(48)21-11-19-12-24(51-3)31(52-4)32(53-5)28(19)43-21/h11-13,16-17,20,42-43H,7-10,14-15,38H2,1-6H3/t20-/m1/s1
InChIKey WOFWDHGGFUCQBB-HXUWFJFHSA-N
Literature Reference Author A.ASAI,S.NAGAMURA,H.SAITO
Literature Reference Citation J.AM.CHEM.SOC.,116,4171(1994)
Literature Reference DOI 10.1021/ja00089a004
Molecular Weight 752.787 g/mol
Solvent DMSO-D6
Source File Reference UWSI3828