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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Phthalic acid, isobutyl 4-methyl-3-nitrobenzyl ester
SpectraBase Compound ID IwDrCjS0UDI
InChI InChI=1S/C20H21NO6/c1-13(2)11-26-19(22)16-6-4-5-7-17(16)20(23)27-12-15-9-8-14(3)18(10-15)21(24)25/h4-10,13H,11-12H2,1-3H3
InChIKey ICINAKKVYWXJQM-UHFFFAOYSA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 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 4ucVdwbDOIg
Name Phthalic acid, isobutyl 4-methyl-3-nitrobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.136887394 u
Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-13(2)11-26-19(22)16-6-4-5-7-17(16)20(23)27-12-15-9-8-14(3)18(10-15)21(24)25/h4-10,13H,11-12H2,1-3H3
InChIKey ICINAKKVYWXJQM-UHFFFAOYSA-N
Molecular Weight 371.389 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC=1C=CC(C)=C(C1)N(=O)=O)C(=O)OCC(C)C