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

*Links on SpectraBase are not permalinks.

Phthalic acid, cyclobutyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclobutyl tridecyl ester
SpectraBase Compound ID 77X67f5lDzy
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-28-24(26)22-18-12-13-19-23(22)25(27)29-21-16-15-17-21/h12-13,18-19,21H,2-11,14-17,20H2,1H3
InChIKey KNNLBNGFDFACBL-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 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 HARuauHMiHu
Name Phthalic acid, cyclobutyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-28-24(26)22-18-12-13-19-23(22)25(27)29-21-16-15-17-21/h12-13,18-19,21H,2-11,14-17,20H2,1H3
InChIKey KNNLBNGFDFACBL-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1CCC1OC(=O)C1=C(C=CC=C1)C(=O)OCCCCCCCCCCCCC