| SpectraBase Spectrum ID |
2jFXKAH0olX |
| Name |
Xanthine, 1,3-dipropyl-7-methyl-8-[2-(3-nitrophenyl)ethenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.175004237 u |
| Formula |
C20H23N5O4 |
| InChI |
InChI=1S/C20H23N5O4/c1-4-11-23-18-17(19(26)24(12-5-2)20(23)27)22(3)16(21-18)10-9-14-7-6-8-15(13-14)25(28)29/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+ |
| InChIKey |
FSQZXSLHVPLXTR-MDZDMXLPSA-N |
| Molecular Weight |
397.435 g/mol |
| SMILES |
C1(N(C(C2=C(N1CCC)N=C(N2C)\C=C\C1=CC(=CC=C1)N(=O)=O)=O)CCC)=O |
![Xanthine, 1,3-dipropyl-7-methyl-8-[2-(3-nitrophenyl)ethenyl]-](/api/spectrum/2jFXKAH0olX/structure.png?h=300&w=458 "Xanthine, 1,3-dipropyl-7-methyl-8-[2-(3-nitrophenyl)ethenyl]-")
