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4,10-Dicyano-perylene-3,9-dicarboxylic acid, diisobutyl ester
SpectraBase Compound ID DNYGurc2jmG
InChI InChI=1S/C32H26N2O4/c1-17(2)15-37-31(35)25-11-9-23-22-8-6-20(14-34)28-26(32(36)38-16-18(3)4)12-10-24(30(22)28)21-7-5-19(13-33)27(25)29(21)23/h5-12,17-18H,15-16H2,1-4H3
InChIKey AYQRFGNDSMYZEG-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C32H26N2O4
Exact Mass 502.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TuAtVa65XM
Name 4,10-Dicyano-perylene-3,9-dicarboxylic acid, diisobutyl ester
CAS Registry Number 100443-95-6
Comments ZSU-5199, MIXTURE WITH ISOMER ASSIGNMENT CONFIRMED BY 2D-NMR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H26N2O4
InChI InChI=1S/C32H26N2O4/c1-17(2)15-37-31(35)25-11-9-23-22-8-6-20(14-34)28-26(32(36)38-16-18(3)4)12-10-24(30(22)28)21-7-5-19(13-33)27(25)29(21)23/h5-12,17-18H,15-16H2,1-4H3
InChIKey AYQRFGNDSMYZEG-UHFFFAOYSA-N
Instrument Name Bruker AM-400
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Benzene-D6