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Cytidine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cytidine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)
SpectraBase Compound ID LTOjHNEOH
InChI InChI=1S/C15H10F9N3O7/c16-13(17,18)9(28)25-7-1-2-27(12(31)26-7)8-3-5(34-11(30)15(22,23)24)6(33-8)4-32-10(29)14(19,20)21/h1-2,5-6,8H,3-4H2,(H,25,26,28,31)
InChIKey FSRWMUNYVVLXME-UHFFFAOYSA-N
Mol Weight 515.24 g/mol
Molecular Formula C15H10F9N3O7
Exact Mass 515.037503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Zk0tV2MiIj
Name Cytidine, 2'-deoxy-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 515.037503134 u
Formula C15H10F9N3O7
InChI InChI=1S/C15H10F9N3O7/c16-13(17,18)9(28)25-7-1-2-27(12(31)26-7)8-3-5(34-11(30)15(22,23)24)6(33-8)4-32-10(29)14(19,20)21/h1-2,5-6,8H,3-4H2,(H,25,26,28,31)
InChIKey FSRWMUNYVVLXME-UHFFFAOYSA-N
Molecular Weight 515.245 g/mol
SMILES C1(N=C(C=CN1C1OC(C(OC(=O)C(F)(F)F)C1)COC(=O)C(F)(F)F)NC(=O)C(F)(F)F)=O