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2',3',5'-TRI-O-(4-TOLUOYL)-URIDINE-2',3',4',5',5''-[(2)-H-(5)]
SpectraBase Compound ID H17z0wtuo00
InChI InChI=1S/C33H30N2O9/c1-19-4-10-22(11-5-19)30(37)41-18-25-27(43-31(38)23-12-6-20(2)7-13-23)28(44-32(39)24-14-8-21(3)9-15-24)29(42-25)35-17-16-26(36)34-33(35)40/h4-17,25,27-29H,18H2,1-3H3,(H,34,36,40)/t25-,27-,28-,29-/m0/s1/i18D2,25D,27D,28D
InChIKey NXOJCESGNUDUNM-GFEHMUSZSA-N
Mol Weight 603.6 g/mol
Molecular Formula C33H252H5N2O9
Exact Mass 603.226514 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KimkDQEBAm9
Name 2',3',5'-TRI-O-(4-TOLUOYL)-URIDINE-2',3',4',5',5''-[(2)-H-(5)]
Compound Number 20A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H252H5N2O9
InChI InChI=1S/C33H30N2O9/c1-19-4-10-22(11-5-19)30(37)41-18-25-27(43-31(38)23-12-6-20(2)7-13-23)28(44-32(39)24-14-8-21(3)9-15-24)29(42-25)35-17-16-26(36)34-33(35)40/h4-17,25,27-29H,18H2,1-3H3,(H,34,36,40)/t25-,27-,28-,29-/m0/s1/i18D2,25D,27D,28D
InChIKey NXOJCESGNUDUNM-GFEHMUSZSA-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 603.640 g/mol
Solvent CDCl3
Source File Reference UWVN24821