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

*Links on SpectraBase are not permalinks.

Phthalic acid, dodecyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl octyl ester
SpectraBase Compound ID GtW7z8Qp0M3
InChI InChI=1S/C28H46O4/c1-3-5-7-9-11-12-13-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey PNZZHIGEPYVJPW-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 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 F6uyw8NF0FP
Name Phthalic acid, dodecyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-7-9-11-12-13-14-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-15-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey PNZZHIGEPYVJPW-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CCCCCCCCCCCCOC(C1=CC=CC=C1C(OCCCCCCCC)=O)=O