| SpectraBase Spectrum ID |
2lSYwdPrGwi |
| Name |
Proxyphylline HFB |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
434.082502052 u |
| Formula |
C14H13F7N4O4 |
| InChI |
InChI=1S/C14H13F7N4O4/c1-6(29-10(27)12(15,16)13(17,18)14(19,20)21)4-25-5-22-8-7(25)9(26)24(3)11(28)23(8)2/h5-6H,4H2,1-3H3 |
| InChIKey |
OVGKSSQDCGORQD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
434.271 g/mol |
| Nominal Mass |
434 u |
| Quality |
994 |
| Retention Index |
2079 |
| SMILES |
C(C(C(F)(F)F)(F)F)(C(OC(CN1C2=C(N(C(N(C2=O)C)=O)C)N=C1)C)=O)(F)F |
| SPLASH |
splash10-001l-9830100000-cdf6d3fc5bd3f25887ef |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propan-2-yl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009981 |
