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

*Links on SpectraBase are not permalinks.

Sebacic acid, isohexyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, isohexyl 3-methylphenyl ester
SpectraBase Compound ID J1qzIc8uEfI
InChI InChI=1S/C23H36O4/c1-19(2)12-11-17-26-22(24)15-8-6-4-5-7-9-16-23(25)27-21-14-10-13-20(3)18-21/h10,13-14,18-19H,4-9,11-12,15-17H2,1-3H3
InChIKey MJHDDBXBGJVAIS-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 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 72oPZJwrRYp
Name Sebacic acid, isohexyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-19(2)12-11-17-26-22(24)15-8-6-4-5-7-9-16-23(25)27-21-14-10-13-20(3)18-21/h10,13-14,18-19H,4-9,11-12,15-17H2,1-3H3
InChIKey MJHDDBXBGJVAIS-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(CCCCCC(OC1=CC(C)=CC=C1)=O)CCC(OCCCC(C)C)=O