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

*Links on SpectraBase are not permalinks.

Phthalic acid, 4-nitrobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-nitrobenzyl nonyl ester
SpectraBase Compound ID 4oUvpx06pdq
InChI InChI=1S/C24H29NO6/c1-2-3-4-5-6-7-10-17-30-23(26)21-11-8-9-12-22(21)24(27)31-18-19-13-15-20(16-14-19)25(28)29/h8-9,11-16H,2-7,10,17-18H2,1H3
InChIKey SVFVBEJCBASJCD-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C24H29NO6
Exact Mass 427.199488 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 LefZuRS1tmm
Name Phthalic acid, 4-nitrobenzyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.199487652 u
Formula C24H29NO6
InChI InChI=1S/C24H29NO6/c1-2-3-4-5-6-7-10-17-30-23(26)21-11-8-9-12-22(21)24(27)31-18-19-13-15-20(16-14-19)25(28)29/h8-9,11-16H,2-7,10,17-18H2,1H3
InChIKey SVFVBEJCBASJCD-UHFFFAOYSA-N
Molecular Weight 427.497 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC1=CC=C(C=C1)N(=O)=O)(OCCCCCCCCC)=O