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N-(1-oxobutyl)-5'-[(1'-oxo-2'-buenyloxy)-.beta.-D-ribofuranosyl]cytidine
SpectraBase Compound ID 9TQ7SCyQW76
InChI InChI=1S/C17H23N3O7/c1-3-5-12(21)18-11-7-8-20(17(25)19-11)16-15(24)14(23)10(27-16)9-26-13(22)6-4-2/h4,6-8,10,14-16,23-24H,3,5,9H2,1-2H3,(H,18,19,21,25)/b6-4+/t10-,14-,15-,16-/m1/s1
InChIKey ONFFRYALQKJTPE-GMFZDUEISA-N
Mol Weight 381.39 g/mol
Molecular Formula C17H23N3O7
Exact Mass 381.1536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EA02uqcMjMT
Name N-(1-oxobutyl)-5'-[(1'-oxo-2'-buenyloxy)-.beta.-D-ribofuranosyl]cytidine
Alternate Name(s) [(2R,5R)-5-(4-butanamido-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2E)-but-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N3O7
InChI InChI=1S/C17H23N3O7/c1-3-5-12(21)18-11-7-8-20(17(25)19-11)16-15(24)14(23)10(27-16)9-26-13(22)6-4-2/h4,6-8,10,14-16,23-24H,3,5,9H2,1-2H3,(H,18,19,21,25)/b6-4+/t10-,14-,15-,16-/m1/s1
InChIKey ONFFRYALQKJTPE-GMFZDUEISA-N
Molecular Weight 381.385 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C(N=C(C=C1)NC(=O)CCC)=O)[H])(COC(\C=C\C)=O)[H])[H]
SPLASH splash10-014i-9300000000-7a5b1cad8e74a554b207
Source of Spectrum J-58-660-12
Wiley ID 1360105