| SpectraBase Compound ID | dAtFlA2axD |
|---|---|
| InChI | InChI=1S/C11H11F3N4O4/c1-16-7-6(8(19)17(2)10(16)21)18(5-15-7)3-4-22-9(20)11(12,13)14/h5H,3-4H2,1-2H3 |
| InChIKey | KWLLCTOYVDRGRG-UHFFFAOYSA-N |
| Mol Weight | 320.23 g/mol |
| Molecular Formula | C11H11F3N4O4 |
| Exact Mass | 320.073239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BH7pZ933ZSZ |
|---|---|
| Name | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl trifluoroacetate |
| Alternate Name(s) | 2,2,2-trifluoroacetic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester 2,2,2-trifluoroacetic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2,2,2-trifluoroacetate 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2,2,2-tris(fluoranyl)ethanoate Acetic acid, trifluoro-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester |
| CAS Registry Number | 77630-38-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H11F3N4O4 |
| InChI | InChI=1S/C11H11F3N4O4/c1-16-7-6(8(19)17(2)10(16)21)18(5-15-7)3-4-22-9(20)11(12,13)14/h5H,3-4H2,1-2H3 |
| InChIKey | KWLLCTOYVDRGRG-UHFFFAOYSA-N |
| Molecular Weight | 320.228 g/mol |
| SMILES | CN1c2c(C(N(C)C1=O)=O)[n](cn2)CCOC(C(F)(F)F)=O |
| SPLASH | splash10-00di-2859000000-926caf839f48938970de |
| Source of Spectrum | W5-0-0-0 |
| Wiley ID | 1319649 |