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

*Links on SpectraBase are not permalinks.

Phthalic acid, heptyl 2-(4-nitrophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 2-(4-nitrophenoxy)ethyl ester
SpectraBase Compound ID AuhPDSKej9t
InChI InChI=1S/C23H27NO7/c1-2-3-4-5-8-15-30-22(25)20-9-6-7-10-21(20)23(26)31-17-16-29-19-13-11-18(12-14-19)24(27)28/h6-7,9-14H,2-5,8,15-17H2,1H3
InChIKey WHGFDFCNXFPWQI-UHFFFAOYSA-N
Mol Weight 429.47 g/mol
Molecular Formula C23H27NO7
Exact Mass 429.178752 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 1vOV4crBA3N
Name Phthalic acid, heptyl 2-(4-nitrophenoxy)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.178752206 u
Formula C23H27NO7
InChI InChI=1S/C23H27NO7/c1-2-3-4-5-8-15-30-22(25)20-9-6-7-10-21(20)23(26)31-17-16-29-19-13-11-18(12-14-19)24(27)28/h6-7,9-14H,2-5,8,15-17H2,1H3
InChIKey WHGFDFCNXFPWQI-UHFFFAOYSA-N
Molecular Weight 429.469 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)N(=O)=O)C(=O)OCCCCCCC