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

*Links on SpectraBase are not permalinks.

Phthalic acid, 3-iodobenzyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-iodobenzyl octyl ester
SpectraBase Compound ID IiZFYpx5xbP
InChI InChI=1S/C23H27IO4/c1-2-3-4-5-6-9-15-27-22(25)20-13-7-8-14-21(20)23(26)28-17-18-11-10-12-19(24)16-18/h7-8,10-14,16H,2-6,9,15,17H2,1H3
InChIKey YMGSHGRSWZRMSZ-UHFFFAOYSA-N
Mol Weight 494.37 g/mol
Molecular Formula C23H27IO4
Exact Mass 494.095404 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 649VRzy1bLM
Name Phthalic acid, 3-iodobenzyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.095404345 u
Formula C23H27IO4
InChI InChI=1S/C23H27IO4/c1-2-3-4-5-6-9-15-27-22(25)20-13-7-8-14-21(20)23(26)28-17-18-11-10-12-19(24)16-18/h7-8,10-14,16H,2-6,9,15,17H2,1H3
InChIKey YMGSHGRSWZRMSZ-UHFFFAOYSA-N
Molecular Weight 494.369 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)I)=O)(OCCCCCCCC)=O