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

*Links on SpectraBase are not permalinks.

Benzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-methylphenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-methylphenyl ester
SpectraBase Compound ID 9aASKzR3BKA
InChI InChI=1S/C24H28O5/c1-18(2)23(25)28-17-7-5-4-6-16-27-21-14-10-20(11-15-21)24(26)29-22-12-8-19(3)9-13-22/h8-15H,1,4-7,16-17H2,2-3H3
InChIKey HTOUIGSDGRCPHR-UHFFFAOYSA-N
Mol Weight 396.48 g/mol
Molecular Formula C24H28O5
Exact Mass 396.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LPR4ICcxBVg
Name Benzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.193673997 u
Formula C24H28O5
InChI InChI=1S/C24H28O5/c1-18(2)23(25)28-17-7-5-4-6-16-27-21-14-10-20(11-15-21)24(26)29-22-12-8-19(3)9-13-22/h8-15H,1,4-7,16-17H2,2-3H3
InChIKey HTOUIGSDGRCPHR-UHFFFAOYSA-N
Molecular Weight 396.483 g/mol
SMILES C(CCCOC1=CC=C(C=C1)C(OC1=CC=C(C=C1)C)=O)CCOC(=O)C(C)=C