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

*Links on SpectraBase are not permalinks.
N,N'-di-3',5'-xylylperylene-3,4,9,10-tetracarboxylic acid diimide with poly(dimethylsiloxane)
SpectraBase Compound ID 6zBgoeiEtsz
InChI InChI=1S/C40H26N2O4.C4H12OSi/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26;1-5-6(2,3)4/h5-18H,1-4H3;1-4H3
InChIKey XJDBWKAELKCBDS-UHFFFAOYSA-N
Mol Weight 702.88 g/mol
Molecular Formula C44H38N2O5Si
Exact Mass 702.254999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DBHPPDXHZFl
Name N,N'-di-3',5'-Xylylperylene-3,4,9,10-tetracarboxylic acid diimide with poly(dimethylsiloxane)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 702.254998862 u
Formula C44H38N2O5Si
InChI InChI=1S/C40H26N2O4.C4H12OSi/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26;1-5-6(2,3)4/h5-18H,1-4H3;1-4H3
InChIKey XJDBWKAELKCBDS-UHFFFAOYSA-N
Molecular Weight 702.882 g/mol
Nominal Mass 702 u
SMILES C1=2C3=C4C(C=5C2C2=C(C=C1)C(N(C(C2=CC5)=O)C1=CC(=CC(=C1)C)C)=O)=CC=C1C4=C(C=C3)C(N(C1=O)C1=CC(=CC(=C1)C)C)=O.C[Si](OC)(C)C