SpectraBase Compound ID | fFSaADLuDZ |
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InChI | InChI=1S/C16H17F3N2O7/c1-15(2,3)12(23)25-6-7-9(27-13(24)16(17,18)19)10-11(26-7)21-5-4-8(22)20-14(21)28-10/h4-5,7,9-11H,6H2,1-3H3 |
InChIKey | XHUGLWYIRJVVKW-UHFFFAOYSA-N |
Mol Weight | 406.31 g/mol |
Molecular Formula | C16H17F3N2O7 |
Exact Mass | 406.098785 g/mol |
SpectraBase Spectrum ID | 5ZQcTDCjol7 |
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Name | Propanoic acid, 2,2-dimethyl-, [2,3,3a,9a-tetrahydro-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.)]- |
CAS Registry Number | 40732-71-6 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C16H17F3N2O7 |
InChI | InChI=1S/C16H17F3N2O7/c1-15(2,3)12(23)25-6-7-9(27-13(24)16(17,18)19)10-11(26-7)21-5-4-8(22)20-14(21)28-10/h4-5,7,9-11H,6H2,1-3H3 |
InChIKey | XHUGLWYIRJVVKW-UHFFFAOYSA-N |
Molecular Weight | 406.314 g/mol |
SMILES | CC(C)(C)C(=O)OCC1C(C2C(N3C=CC(N=C3O2)=O)O1)OC(C(F)(F)F)=O |
SPLASH | splash10-05ox-8912000000-d634bb7f9d3eda574d2e |
Source of Spectrum | O7-0-317-0 |
Synonyms | (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 pivalate 2,2-Dimethylpropanoic acid [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 [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-dimethylpropanoate [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-dimethylpropanoate [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-dimethylpropanoate |
Wiley ID | 1371929 |