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

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methoxy-4-nitrobenzyl nonyl ester
SpectraBase Compound ID Jv9D44Zd1v7
InChI InChI=1S/C25H31NO7/c1-3-4-5-6-7-8-11-16-32-24(27)20-12-9-10-13-21(20)25(28)33-18-19-14-15-22(26(29)30)23(17-19)31-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
InChIKey HKIXTKBFWNLNQB-UHFFFAOYSA-N
Mol Weight 457.52 g/mol
Molecular Formula C25H31NO7
Exact Mass 457.210052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QeJVEeshRp
Name Phthalic acid, 3-methoxy-4-nitrobenzyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.210052335 u
Formula C25H31NO7
InChI InChI=1S/C25H31NO7/c1-3-4-5-6-7-8-11-16-32-24(27)20-12-9-10-13-21(20)25(28)33-18-19-14-15-22(26(29)30)23(17-19)31-2/h9-10,12-15,17H,3-8,11,16,18H2,1-2H3
InChIKey HKIXTKBFWNLNQB-UHFFFAOYSA-N
Molecular Weight 457.523 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCCCCCCCCC)=O