| SpectraBase Spectrum ID |
IIQqUWg0hYB |
| Name |
N3-Methyl-N1-propenyl-8-p-hydroxyphenylxanthine |
| Alternate Name(s) |
8-(4-hydroxyphenyl)-3-methyl-1-[(1E)-1-propenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14N4O3 |
| InChI |
InChI=1S/C15H14N4O3/c1-3-8-19-14(21)11-13(18(2)15(19)22)17-12(16-11)9-4-6-10(20)7-5-9/h3-8,20H,1-2H3,(H,16,17)/b8-3+ |
| InChIKey |
YBSQJDAOHDBDNF-FPYGCLRLSA-N |
| Molecular Weight |
298.302 g/mol |
| SMILES |
[nH]1c(-c2ccc(cc2)O)nc2c1C(=O)N(C(N2C)=O)\C=C\C |
| SPLASH |
splash10-01qc-0190000000-79823e59ae39ea9faa86 |
| Source of Spectrum |
H1-51-34-6 |
| Wiley ID |
817064 |
