For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,1'-(1,10-Decanediyl)bis[theophyline]
SpectraBase Compound ID 2Ek7G9pPGHJ
InChI InChI=1S/C24H34N8O4/c1-27-15-25-19-17(27)21(33)31(23(35)29(19)3)13-11-9-7-5-6-8-10-12-14-32-22(34)18-20(26-16-28(18)2)30(4)24(32)36/h15-16H,5-14H2,1-4H3
InChIKey ULOLPHJTWOYFBF-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C24H34N8O4
Exact Mass 498.270302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Il7M8lgLWPC
Name 1,1'-(1,10-Decanediyl)bis[theophyline]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34N8O4
InChI InChI=1S/C24H34N8O4/c1-27-15-25-19-17(27)21(33)31(23(35)29(19)3)13-11-9-7-5-6-8-10-12-14-32-22(34)18-20(26-16-28(18)2)30(4)24(32)36/h15-16H,5-14H2,1-4H3
InChIKey ULOLPHJTWOYFBF-UHFFFAOYSA-N
Molecular Weight 498.588 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)CCCCCCCCCCN2C(N(c3nc[n](c3C2=O)C)C)=O)[n](C)cn1
SPLASH splash10-02u1-9706700000-28b1ba2ff0644b03cbb4
Source of Spectrum AJ-67-207-4
Wiley ID 772565