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(7-Methyl-6-oxo-3-[(trifluoroacetyl)oxy]-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl)methyl trifluoroacetate
SpectraBase Compound ID FVrde9Bb2Wp
InChI InChI=1S/C14H10F6N2O7/c1-4-2-22-9-7(29-12(22)21-8(4)23)6(28-11(25)14(18,19)20)5(27-9)3-26-10(24)13(15,16)17/h2,5-7,9H,3H2,1H3
InChIKey IEXZIRIYOOBTMX-UHFFFAOYSA-N
Mol Weight 432.23 g/mol
Molecular Formula C14H10F6N2O7
Exact Mass 432.03922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvwZgIY6EGS
Name (7-Methyl-6-oxo-3-[(trifluoroacetyl)oxy]-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-2-yl)methyl trifluoroacetate
CAS Registry Number 39687-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10F6N2O7
InChI InChI=1S/C14H10F6N2O7/c1-4-2-22-9-7(29-12(22)21-8(4)23)6(28-11(25)14(18,19)20)5(27-9)3-26-10(24)13(15,16)17/h2,5-7,9H,3H2,1H3
InChIKey IEXZIRIYOOBTMX-UHFFFAOYSA-N
Molecular Weight 432.231 g/mol
SMILES CC1=CN2C(=NC1=O)OC1C(C(COC(C(F)(F)F)=O)OC21)OC(C(F)(F)F)=O
SPLASH splash10-00lr-9300100000-d2488b61124568238d25
Source of Spectrum W5-0-0-0
Synonyms Acetic acid, trifluoro-, [2,3,3a,9a-tetrahydro-7-methyl-6-oxo-3-[(trifluoroacetyl)oxy]-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-2-yl]methyl ester, [2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.)]- 2,2,2-trifluoroacetic acid [7-methyl-6-oxo-3-(2,2,2-trifluoro-1-oxoethoxy)-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-2-yl]methyl ester [7-methyl-6-oxo-3-(2,2,2-trifluoroacetyl)oxy-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-2-yl]methyl 2,2,2-trifluoroacetate [7-methyl-6-oxo-3-(2,2,2-trifluoroacetyl)oxy-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-2-yl]methyl 2,2,2-trifluoroacetate [7-methyl-6-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethanoyloxy]-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-2-yl]methyl 2,2,2-tris(fluoranyl)ethanoate
Wiley ID 1382062