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Cytidine, 2'-deoxy-5-methyl-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)
SpectraBase Compound ID IWVol5wycOv
InChI InChI=1S/C16H12F9N3O7/c1-5-3-28(13(32)27-9(5)26-10(29)14(17,18)19)8-2-6(35-12(31)16(23,24)25)7(34-8)4-33-11(30)15(20,21)22/h3,6-8H,2,4H2,1H3,(H,26,27,29,32)
InChIKey UVXBNPXAHHWZFH-UHFFFAOYSA-N
Mol Weight 529.27 g/mol
Molecular Formula C16H12F9N3O7
Exact Mass 529.053153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5s5m3DG3tBD
Name Cytidine, 2'-deoxy-5-methyl-N-(trifluoroacetyl)-, 3',5'-bis(trifluoroacetate)
Alternate Name(s) [5-[5-methyl-2-oxidanylidene-4-[2,2,2-tris(fluoranyl)ethanoylamino]pyrimidin-1-yl]-3-[2,2,2-tris(fluoranyl)ethanoyloxy]oxolan-2-yl]methyl 2,2,2-tris(fluoranyl)ethanoate [5-[5-methyl-2-oxo-4-[(2,2,2-trifluoroacetyl)amino]pyrimidin-1-yl]-3-(2,2,2-trifluoroacetyl)oxy-tetrahydrofuran-2-yl]methyl 2,2,2-trifluoroacetate [5-[5-methyl-2-oxo-4-[(2,2,2-trifluoroacetyl)amino]pyrimidin-1-yl]-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate 2,2,2-trifluoroacetic acid [5-[5-methyl-2-oxo-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-pyrimidinyl]-3-(2,2,2-trifluoro-1-oxoethoxy)-2-oxolanyl]methyl ester
CAS Registry Number 35170-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F9N3O7
InChI InChI=1S/C16H12F9N3O7/c1-5-3-28(13(32)27-9(5)26-10(29)14(17,18)19)8-2-6(35-12(31)16(23,24)25)7(34-8)4-33-11(30)15(20,21)22/h3,6-8H,2,4H2,1H3,(H,26,27,29,32)
InChIKey UVXBNPXAHHWZFH-UHFFFAOYSA-N
Molecular Weight 529.272 g/mol
SMILES N(C=1C(C)=CN(C(N1)=O)C1CC(C(COC(C(F)(F)F)=O)O1)OC(C(F)(F)F)=O)C(C(F)(F)F)=O
SPLASH splash10-0ue9-9721000000-6d00862a8cae7e28f755
Source of Spectrum D-10-3974-5
Wiley ID 1403174