![1,1'-Ethylenebis[theophyline]](/api/spectrum/54I6Pt8bfvD/structure.png?h=300&w=458 "1,1'-Ethylenebis[theophyline]")
| SpectraBase Compound ID | FiCEo0Xn20u |
|---|---|
| InChI | InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3 |
| InChIKey | DHOOHIKQTUGDOW-UHFFFAOYSA-N |
| Mol Weight | 386.37 g/mol |
| Molecular Formula | C16H18N8O4 |
| Exact Mass | 386.145101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 54I6Pt8bfvD |
|---|---|
| Name | 1,1'-Ethylenebis[theophyline] |
| Alternate Name(s) | 1-[2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl]-3,7-dimethylpurine-2,6-dione 1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl]-3,7-dimethylpurine-2,6-dione 1-[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl]-3,7-dimethyl-purine-2,6-dione 1-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl]-3,7-dimethyl-purine-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H18N8O4 |
| InChI | InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3 |
| InChIKey | DHOOHIKQTUGDOW-UHFFFAOYSA-N |
| Molecular Weight | 386.372 g/mol |
| SMILES | c12c(C(N(CCN3C(N(C)c4c(C3=O)[n](cn4)C)=O)C(N2C)=O)=O)[n](C)cn1 |
| SPLASH | splash10-0a4r-0495000000-c092e1ad166494a4051f |
| Source of Spectrum | AJ-67-207-4 |
| Wiley ID | 772566 |