| SpectraBase Spectrum ID |
68r3vPBi2zc |
| Name |
7,7'-(1,8-Octanediyl)bis[theophyline] |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30N8O4 |
| InChI |
InChI=1S/C22H30N8O4/c1-25-17-15(19(31)27(3)21(25)33)29(13-23-17)11-9-7-5-6-8-10-12-30-14-24-18-16(30)20(32)28(4)22(34)26(18)2/h13-14H,5-12H2,1-4H3 |
| InChIKey |
QOUKOUAAOUMSQB-UHFFFAOYSA-N |
| Molecular Weight |
470.534 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](CCCCCCCC[n]2c3c(N(C)C(N(C3=O)C)=O)nc2)cn1 |
| SPLASH |
splash10-00lr-0903300000-c9782377271e6bd0b472 |
| Source of Spectrum |
AJ-67-207-2 |
| Wiley ID |
772568 |
![7,7'-(1,8-Octanediyl)bis[theophyline]](/api/spectrum/68r3vPBi2zc/structure.png?h=300&w=458 "7,7'-(1,8-Octanediyl)bis[theophyline]")
