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

*Links on SpectraBase are not permalinks.

Phthalic acid, octyl 2-tert-butyl-6-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 2-tert-butyl-6-methylphenyl ester
SpectraBase Compound ID H3y6FnTYUk8
InChI InChI=1S/C27H36O4/c1-6-7-8-9-10-13-19-30-25(28)21-16-11-12-17-22(21)26(29)31-24-20(2)15-14-18-23(24)27(3,4)5/h11-12,14-18H,6-10,13,19H2,1-5H3
InChIKey CGGZLIMNNFRERI-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 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 5EctJoq5Qsv
Name Phthalic acid, octyl 2-tert-butyl-6-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-6-7-8-9-10-13-19-30-25(28)21-16-11-12-17-22(21)26(29)31-24-20(2)15-14-18-23(24)27(3,4)5/h11-12,14-18H,6-10,13,19H2,1-5H3
InChIKey CGGZLIMNNFRERI-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCC)C(=O)OC1=C(C=CC=C1C(C)(C)C)C