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

*Links on SpectraBase are not permalinks.

Phthalic acid, hexyl 4-nitrophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 4-nitrophenyl ester
SpectraBase Compound ID AzbfM9oCksd
InChI InChI=1S/C20H21NO6/c1-2-3-4-7-14-26-19(22)17-8-5-6-9-18(17)20(23)27-16-12-10-15(11-13-16)21(24)25/h5-6,8-13H,2-4,7,14H2,1H3
InChIKey NYAFNRIIDMUSCM-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 348Ugl2jRaG
Name Phthalic acid, hexyl 4-nitrophenyl 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/c1-2-3-4-7-14-26-19(22)17-8-5-6-9-18(17)20(23)27-16-12-10-15(11-13-16)21(24)25/h5-6,8-13H,2-4,7,14H2,1H3
InChIKey NYAFNRIIDMUSCM-UHFFFAOYSA-N
Molecular Weight 371.389 g/mol
SMILES C1(=CC=C(C=C1)N(=O)=O)OC(C1=C(C(OCCCCCC)=O)C=CC=C1)=O