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N4-BENZOYL-2'-O-(2-THIOBENZOYLETHYL)-CYTIDINE

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N4-BENZOYL-2'-O-(2-THIOBENZOYLETHYL)-CYTIDINE
SpectraBase Compound ID E8b9k8PjTlT
InChI InChI=1S/C25H25N3O7S/c29-15-18-20(30)21(34-13-14-36-24(32)17-9-5-2-6-10-17)23(35-18)28-12-11-19(27-25(28)33)26-22(31)16-7-3-1-4-8-16/h1-12,18,20-21,23,29-30H,13-15H2,(H,26,27,31,33)/t18-,20-,21-,23-/m0/s1
InChIKey VGCSSTVWELJYKV-ROQCDXFCSA-N
Mol Weight 511.55 g/mol
Molecular Formula C25H25N3O7S
Exact Mass 511.141321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iD4mzQqWv4
Name N4-BENZOYL-2'-O-(2-THIOBENZOYLETHYL)-CYTIDINE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25N3O7S
InChI InChI=1S/C25H25N3O7S/c29-15-18-20(30)21(34-13-14-36-24(32)17-9-5-2-6-10-17)23(35-18)28-12-11-19(27-25(28)33)26-22(31)16-7-3-1-4-8-16/h1-12,18,20-21,23,29-30H,13-15H2,(H,26,27,31,33)/t18-,20-,21-,23-/m0/s1
InChIKey VGCSSTVWELJYKV-ROQCDXFCSA-N
Literature Reference Author J.T.GOODWIN,S.E.OSBORNE,E.J.SCHOLLE,G.D.GLICK
Literature Reference Citation J.AM.CHEM.SOC.,118,5207(1996)
Literature Reference DOI 10.1021/ja960091t
Molecular Weight 511.549 g/mol
Sample ID 55058
Solvent CDCl3