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

*Links on SpectraBase are not permalinks.

N-(1'-Nonyldecyl)perylene-3,4,9-tricarboxylic acid - 3,4-imide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(1'-Nonyldecyl)perylene-3,4,9-tricarboxylic acid - 3,4-imide
SpectraBase Compound ID EaR0qRHC5jl
InChI InChI=1S/C42H49NO4/c1-3-5-7-9-11-13-15-18-28(19-16-14-12-10-8-6-4-2)43-40(44)35-26-23-32-29-20-17-21-30-34(42(46)47)25-22-31(37(29)30)33-24-27-36(41(43)45)39(35)38(32)33/h17,20-28H,3-16,18-19H2,1-2H3,(H,46,47)
InChIKey XPBWEHSYVYUXBQ-UHFFFAOYSA-N
Mol Weight 631.9 g/mol
Molecular Formula C42H49NO4
Exact Mass 631.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID ISdob0ACtDm
Name N-(1'-Nonyldecyl)perylene-3,4,9-tricarboxylic acid - 3,4-imide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 631.366159058 u
Formula C42H49NO4
InChI InChI=1S/C42H49NO4/c1-3-5-7-9-11-13-15-18-28(19-16-14-12-10-8-6-4-2)43-40(44)35-26-23-32-29-20-17-21-30-34(42(46)47)25-22-31(37(29)30)33-24-27-36(41(43)45)39(35)38(32)33/h17,20-28H,3-16,18-19H2,1-2H3,(H,46,47)
InChIKey XPBWEHSYVYUXBQ-UHFFFAOYSA-N
Molecular Weight 631.857 g/mol
SMILES C1(N(C(C=2C3=C4C(=CC=C13)C1=CC=CC3=C1C(C4=CC2)=CC=C3C(=O)O)=O)C(CCCCCCCCC)CCCCCCCCC)=O