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2',3',5'-TRI-O-(4-TOLUOYL)-N-(6)-BENZOYLADENOSINE-2',3',4',5',5''-[(2)-H-(5)]
SpectraBase Compound ID ExcfdO0zCzc
InChI InChI=1S/C41H35N5O8/c1-24-9-15-28(16-10-24)39(48)51-21-31-33(53-40(49)29-17-11-25(2)12-18-29)34(54-41(50)30-19-13-26(3)14-20-30)38(52-31)46-23-44-32-35(42-22-43-36(32)46)45-37(47)27-7-5-4-6-8-27/h4-20,22-23,31,33-34,38H,21H2,1-3H3,(H,42,43,45,47)/t31-,33-,34-,38-/m0/s1/i21D2,31D,33D,34D
InChIKey NQRIQEXLIXWOCT-VTOSXZFHSA-N
Mol Weight 730.8 g/mol
Molecular Formula C41H302H5N5O8
Exact Mass 730.279947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuGKXRWgLJq
Name 2',3',5'-TRI-O-(4-TOLUOYL)-N-(6)-BENZOYLADENOSINE-2',3',4',5',5''-[(2)-H-(5)]
Compound Number 20B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H302H5N5O8
InChI InChI=1S/C41H35N5O8/c1-24-9-15-28(16-10-24)39(48)51-21-31-33(53-40(49)29-17-11-25(2)12-18-29)34(54-41(50)30-19-13-26(3)14-20-30)38(52-31)46-23-44-32-35(42-22-43-36(32)46)45-37(47)27-7-5-4-6-8-27/h4-20,22-23,31,33-34,38H,21H2,1-3H3,(H,42,43,45,47)/t31-,33-,34-,38-/m0/s1/i21D2,31D,33D,34D
InChIKey NQRIQEXLIXWOCT-VTOSXZFHSA-N
Literature Reference Author A.FOELDESI,A.TRIFONOVA,Z.DINYA,J.CHATTOPADHYAYA
Literature Reference Citation J.ORG.CHEM.,66,6560(2001)
Literature Reference DOI 10.1021/jo010097n
Molecular Weight 730.788 g/mol
Solvent CDCl3
Source File Reference UWVN24822