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[(2R,3R,4R,5R)-5-(5-fluoro-3-methyl-2,4-dioxo-pyrimidin-1-yl)-2-methyl-4-(2,2,2-trifluoroacetyl)oxy-tetrahydrofuran-3-yl] 2,2,2-trifluoroacetate

View entire compound with spectra: 1 MS (GC)

[(2R,3R,4R,5R)-5-(5-fluoro-3-methyl-2,4-dioxo-pyrimidin-1-yl)-2-methyl-4-(2,2,2-trifluoroacetyl)oxy-tetrahydrofuran-3-yl] 2,2,2-trifluoroacetate
SpectraBase Compound ID J8f6jZODXB
InChI InChI=1S/C14H11F7N2O7/c1-4-6(29-10(25)13(16,17)18)7(30-11(26)14(19,20)21)9(28-4)23-3-5(15)8(24)22(2)12(23)27/h3-4,6-7,9H,1-2H3/t4-,6-,7-,9-/m1/s1
InChIKey ZYBFKJRUMBNAQY-FJGDRVTGSA-N
Mol Weight 452.24 g/mol
Molecular Formula C14H11F7N2O7
Exact Mass 452.045448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4azPXRwe1F9
Name [(2R,3R,4R,5R)-5-(5-fluoro-3-methyl-2,4-dioxo-pyrimidin-1-yl)-2-methyl-4-(2,2,2-trifluoroacetyl)oxy-tetrahydrofuran-3-yl] 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F7N2O7
InChI InChI=1S/C14H11F7N2O7/c1-4-6(29-10(25)13(16,17)18)7(30-11(26)14(19,20)21)9(28-4)23-3-5(15)8(24)22(2)12(23)27/h3-4,6-7,9H,1-2H3/t4-,6-,7-,9-/m1/s1
InChIKey ZYBFKJRUMBNAQY-FJGDRVTGSA-N
Instrument Name HP 5890 series II-VG BIOTECH Trio-2000
Ionization Type EI positive ion
Literature Reference DOI 10.1002_(SICI)1097-0231(199709)11_14_1529
Molecular Weight 452.238 g/mol
SMILES C1(N(C=C(C(N1C)=O)F)[C@]1([C@@]([C@@]([C@](O1)(C)[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])[H])=O
SPLASH splash10-0avj-9401000000-a136f8db6f7b187f5f86
Source of Spectrum RCM-11-1531-Fig.2 (c)
Wiley ID 1837471