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

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methyl-4-nitrobenzyl nonyl ester
SpectraBase Compound ID 4cfxlkwwnCW
InChI InChI=1S/C25H31NO6/c1-3-4-5-6-7-8-11-16-31-24(27)21-12-9-10-13-22(21)25(28)32-18-20-14-15-23(26(29)30)19(2)17-20/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
InChIKey FQWKMSJLXINEEI-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C25H31NO6
Exact Mass 441.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37iPCUOvkzy
Name Phthalic acid, 3-methyl-4-nitrobenzyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.215137716 u
Formula C25H31NO6
InChI InChI=1S/C25H31NO6/c1-3-4-5-6-7-8-11-16-31-24(27)21-12-9-10-13-22(21)25(28)32-18-20-14-15-23(26(29)30)19(2)17-20/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
InChIKey FQWKMSJLXINEEI-UHFFFAOYSA-N
Molecular Weight 441.524 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC=1C=CC(=C(C)C1)N(=O)=O)C(=O)OCCCCCCCCC