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

*Links on SpectraBase are not permalinks.

Succinic acid, decyl 3-methyl-4-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, decyl 3-methyl-4-nitrobenzyl ester
SpectraBase Compound ID 6tE3Yxf2naV
InChI InChI=1S/C22H33NO6/c1-3-4-5-6-7-8-9-10-15-28-21(24)13-14-22(25)29-17-19-11-12-20(23(26)27)18(2)16-19/h11-12,16H,3-10,13-15,17H2,1-2H3
InChIKey FWUNUEZQNFGLEC-UHFFFAOYSA-N
Mol Weight 407.5 g/mol
Molecular Formula C22H33NO6
Exact Mass 407.230788 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 3F70aNpWU3a
Name Succinic acid, decyl 3-methyl-4-nitrobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.230787781 u
Formula C22H33NO6
InChI InChI=1S/C22H33NO6/c1-3-4-5-6-7-8-9-10-15-28-21(24)13-14-22(25)29-17-19-11-12-20(23(26)27)18(2)16-19/h11-12,16H,3-10,13-15,17H2,1-2H3
InChIKey FWUNUEZQNFGLEC-UHFFFAOYSA-N
Molecular Weight 407.507 g/mol
SMILES C(CCC(OCC1=CC=C(C(=C1)C)N(=O)=O)=O)(OCCCCCCCCCC)=O