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9H-Purine, 2-chloro-6-fluoro-9-(2,3,5-tri-O-acetyl-.beta.-D-ribofuranosyl)-
SpectraBase Compound ID Nuhf3itgN9
InChI InChI=1S/C16H16ClFN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15-/m1/s1
InChIKey FVZUKMGCDDLFJX-SDBHATRESA-N
Mol Weight 430.78 g/mol
Molecular Formula C16H16ClFN4O7
Exact Mass 430.069155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8tqXQapzfC
Name 9H-Purine, 2-chloro-6-fluoro-9-(2,3,5-tri-O-acetyl-.beta.-D-ribofuranosyl)-
Alternate Name(s) 9-(2,3,5-tri-O-acetyl-.beta.-D-ribofuranosyl)-2-chloro-6-fluoro-purine [(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2-chloro-6-fluoro-9H-purin-9-yl)oxolan-2-yl]methyl acetate
CAS Registry Number 79999-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16ClFN4O7
InChI InChI=1S/C16H16ClFN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15-/m1/s1
InChIKey FVZUKMGCDDLFJX-SDBHATRESA-N
Molecular Weight 430.776 g/mol
SMILES c12[n](cnc2c(F)nc(n1)Cl)[C@]1([C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0a4i-0290000000-7e54e9bb6117c8154eae
Source of Spectrum I-59-2611-0
Wiley ID 1381356