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

*Links on SpectraBase are not permalinks.

Phthalic acid, hexadecyl propyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexadecyl propyl ester
SpectraBase Compound ID 4Ow5iLo6GyY
InChI InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31-27(29)25-21-18-17-20-24(25)26(28)30-22-4-2/h17-18,20-21H,3-16,19,22-23H2,1-2H3
InChIKey PDCGJXMBBPHLBX-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 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 KFBUHw4F4lS
Name Phthalic acid, hexadecyl propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31-27(29)25-21-18-17-20-24(25)26(28)30-22-4-2/h17-18,20-21H,3-16,19,22-23H2,1-2H3
InChIKey PDCGJXMBBPHLBX-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCC