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

*Links on SpectraBase are not permalinks.

Glutaric acid, 3-nitro-4-methoxybenzyl octyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-nitro-4-methoxybenzyl octyl ester
SpectraBase Compound ID AvaFAGDSzpr
InChI InChI=1S/C21H31NO7/c1-3-4-5-6-7-8-14-28-20(23)10-9-11-21(24)29-16-17-12-13-19(27-2)18(15-17)22(25)26/h12-13,15H,3-11,14,16H2,1-2H3
InChIKey CGLBHBPLWHMTBS-UHFFFAOYSA-N
Mol Weight 409.48 g/mol
Molecular Formula C21H31NO7
Exact Mass 409.210052 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 DLUiuUJJ9vK
Name Glutaric acid, 3-nitro-4-methoxybenzyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.210052335 u
Formula C21H31NO7
InChI InChI=1S/C21H31NO7/c1-3-4-5-6-7-8-14-28-20(23)10-9-11-21(24)29-16-17-12-13-19(27-2)18(15-17)22(25)26/h12-13,15H,3-11,14,16H2,1-2H3
InChIKey CGLBHBPLWHMTBS-UHFFFAOYSA-N
Molecular Weight 409.479 g/mol
SMILES C(OCC1=CC=C(C(=C1)N(=O)=O)OC)(=O)CCCC(OCCCCCCCC)=O