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

*Links on SpectraBase are not permalinks.

Phthalic acid, 4-methyl-3-nitrobenzyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methyl-3-nitrobenzyl octyl ester
SpectraBase Compound ID HWwUlj3NDcp
InChI InChI=1S/C24H29NO6/c1-3-4-5-6-7-10-15-30-23(26)20-11-8-9-12-21(20)24(27)31-17-19-14-13-18(2)22(16-19)25(28)29/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
InChIKey XGEYXGYSKQTLSR-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 JOGnNtTXAl
Name Phthalic acid, 4-methyl-3-nitrobenzyl octyl 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/c1-3-4-5-6-7-10-15-30-23(26)20-11-8-9-12-21(20)24(27)31-17-19-14-13-18(2)22(16-19)25(28)29/h8-9,11-14,16H,3-7,10,15,17H2,1-2H3
InChIKey XGEYXGYSKQTLSR-UHFFFAOYSA-N
Molecular Weight 427.497 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC=1C=CC(C)=C(C1)N(=O)=O)C(=O)OCCCCCCCC