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5'-o-(4-Oxopentanoyl)-2'-o-uridine
SpectraBase Compound ID 5Tm4GyjKHWf
InChI InChI=1S/C21H22N2O9/c1-12(24)7-8-16(26)30-11-14-17(27)18(32-20(28)13-5-3-2-4-6-13)19(31-14)23-10-9-15(25)22-21(23)29/h2-6,9-10,14,17-19,27H,7-8,11H2,1H3,(H,22,25,29)/t14-,17-,18-,19-/m1/s1
InChIKey MTKITMBCGFIPIG-UTRMSSBJSA-N
Mol Weight 446.41 g/mol
Molecular Formula C21H22N2O9
Exact Mass 446.13253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAVjgwJiPFS
Name 5'-o-(4-Oxopentanoyl)-2'-o-uridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.132530287 u
Formula C21H22N2O9
InChI InChI=1S/C21H22N2O9/c1-12(24)7-8-16(26)30-11-14-17(27)18(32-20(28)13-5-3-2-4-6-13)19(31-14)23-10-9-15(25)22-21(23)29/h2-6,9-10,14,17-19,27H,7-8,11H2,1H3,(H,22,25,29)/t14-,17-,18-,19-/m1/s1
InChIKey MTKITMBCGFIPIG-UTRMSSBJSA-N
Molecular Weight 446.412 g/mol
SMILES [C@]1(N2C(=O)NC(=O)C=C2)(O[C@](COC(=O)CCC(=O)C)([C@]([C@]1(OC(=O)C=1C=CC=CC1)[H])(O)[H])[H])[H]