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Thymidine, 3',5'-bis(trifluoroacetate)
SpectraBase Compound ID 73mlP6bWMlP
InChI InChI=1S/C14H12F6N2O7/c1-5-3-22(12(26)21-9(5)23)8-2-6(29-11(25)14(18,19)20)7(28-8)4-27-10(24)13(15,16)17/h3,6-8H,2,4H2,1H3,(H,21,23,26)
InChIKey XOTHCHOYOROZPJ-UHFFFAOYSA-N
Mol Weight 434.25 g/mol
Molecular Formula C14H12F6N2O7
Exact Mass 434.05487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mvPRL8rJY
Name Thymidine, 3',5'-bis(trifluoroacetate)
Alternate Name(s) O-3',5'-Bis(trifluoroacetyl)thymidine [5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-(2,2,2-trifluoroacetyl)oxy-tetrahydrofuran-2-yl]methyl 2,2,2-trifluoroacetate [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(2,2,2-trifluoroacetyl)oxyoxolan-2-yl]methyl 2,2,2-trifluoroacetate [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[2,2,2-tris(fluoranyl)ethanoyloxy]oxolan-2-yl]methyl 2,2,2-tris(fluoranyl)ethanoate 2,2,2-trifluoroacetic acid [5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-(2,2,2-trifluoro-1-oxoethoxy)-2-oxolanyl]methyl ester
CAS Registry Number 18354-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F6N2O7
InChI InChI=1S/C14H12F6N2O7/c1-5-3-22(12(26)21-9(5)23)8-2-6(29-11(25)14(18,19)20)7(28-8)4-27-10(24)13(15,16)17/h3,6-8H,2,4H2,1H3,(H,21,23,26)
InChIKey XOTHCHOYOROZPJ-UHFFFAOYSA-N
Molecular Weight 434.247 g/mol
SMILES N1C(N(C=C(C1=O)C)C1CC(C(COC(C(F)(F)F)=O)O1)OC(C(F)(F)F)=O)=O
SPLASH splash10-0059-9600000000-f218f9d59198efbf8880
Source of Spectrum D-10-3971-1
Wiley ID 1382785