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

*Links on SpectraBase are not permalinks.

Phthalic acid, 3-iodobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-iodobenzyl nonyl ester
SpectraBase Compound ID Dts4G5M9xT8
InChI InChI=1S/C24H29IO4/c1-2-3-4-5-6-7-10-16-28-23(26)21-14-8-9-15-22(21)24(27)29-18-19-12-11-13-20(25)17-19/h8-9,11-15,17H,2-7,10,16,18H2,1H3
InChIKey VDGYITKUJVZWRJ-UHFFFAOYSA-N
Mol Weight 508.4 g/mol
Molecular Formula C24H29IO4
Exact Mass 508.111054 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 64YBRwYVjOk
Name Phthalic acid, 3-iodobenzyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.111054410 u
Formula C24H29IO4
InChI InChI=1S/C24H29IO4/c1-2-3-4-5-6-7-10-16-28-23(26)21-14-8-9-15-22(21)24(27)29-18-19-12-11-13-20(25)17-19/h8-9,11-15,17H,2-7,10,16,18H2,1H3
InChIKey VDGYITKUJVZWRJ-UHFFFAOYSA-N
Molecular Weight 508.396 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)I)=O)(OCCCCCCCCC)=O