![2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-1-([(trifluoroacetyl)oxy]methyl)ethyl trifluoroacetate](/api/spectrum/4Bidibcb9SY/structure.png?h=300&w=458 "2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-1-([(trifluoroacetyl)oxy]methyl)ethyl trifluoroacetate")
| SpectraBase Compound ID | ID8JaA0saKZ |
|---|---|
| InChI | InChI=1S/C14H12F6N4O6/c1-22-8-7(9(25)23(2)12(22)28)24(5-21-8)3-6(30-11(27)14(18,19)20)4-29-10(26)13(15,16)17/h5-6H,3-4H2,1-2H3 |
| InChIKey | MVGZNWOHPXOUPC-UHFFFAOYSA-N |
| Mol Weight | 446.26 g/mol |
| Molecular Formula | C14H12F6N4O6 |
| Exact Mass | 446.066103 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Bidibcb9SY |
|---|---|
| Name | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-1-([(trifluoroacetyl)oxy]methyl)ethyl trifluoroacetate |
| CAS Registry Number | 77630-40-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H12F6N4O6 |
| InChI | InChI=1S/C14H12F6N4O6/c1-22-8-7(9(25)23(2)12(22)28)24(5-21-8)3-6(30-11(27)14(18,19)20)4-29-10(26)13(15,16)17/h5-6H,3-4H2,1-2H3 |
| InChIKey | MVGZNWOHPXOUPC-UHFFFAOYSA-N |
| Molecular Weight | 446.262 g/mol |
| SMILES | CN1c2c(C(N(C)C1=O)=O)[n](cn2)CC(COC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| SPLASH | splash10-0002-4952800000-7c3493c32b176ca7caf0 |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | Acetic acid, trifluoro-, 1-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-1,2-ethanediyl ester 2,2,2-trifluoroacetic acid [3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-(2,2,2-trifluoro-1-oxoethoxy)propyl] ester [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate [3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-(2,2,2-trifluoroacetyl)oxy-propyl] 2,2,2-trifluoroacetate [3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-[2,2,2-tris(fluoranyl)ethanoyloxy]propyl] 2,2,2-tris(fluoranyl)ethanoate |
| Wiley ID | 1386442 |