| SpectraBase Spectrum ID |
CH1k5AtBkwS |
| Name |
Xanthine, 7-methyl-1,3-di-N-propyl-8-[2-[3,5-dimethoxyphenyl]ethenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.211055394 u |
| Formula |
C22H28N4O4 |
| InChI |
InChI=1S/C22H28N4O4/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)24(3)18(23-20)9-8-15-12-16(29-4)14-17(13-15)30-5/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+ |
| InChIKey |
IOYPKGGECGGACP-CMDGGOBGSA-N |
| Molecular Weight |
412.490 g/mol |
| SMILES |
C1(N(C(C2=C(N1CCC)N=C(N2C)\C=C\C1=CC(=CC(=C1)OC)OC)=O)CCC)=O |
![Xanthine, 7-methyl-1,3-di-N-propyl-8-[2-[3,5-dimethoxyphenyl]ethenyl]-](/api/spectrum/CH1k5AtBkwS/structure.png?h=300&w=458 "Xanthine, 7-methyl-1,3-di-N-propyl-8-[2-[3,5-dimethoxyphenyl]ethenyl]-")
