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

*Links on SpectraBase are not permalinks.

Phthalic acid, decyl 5-methoxy-3-methylpentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 5-methoxy-3-methylpentyl ester
SpectraBase Compound ID 9EOuPbXTHh1
InChI InChI=1S/C25H40O5/c1-4-5-6-7-8-9-10-13-18-29-24(26)22-14-11-12-15-23(22)25(27)30-20-17-21(2)16-19-28-3/h11-12,14-15,21H,4-10,13,16-20H2,1-3H3
InChIKey YNRYDHPKUSRMSU-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 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 GydpaGr4lw2
Name Phthalic acid, decyl 5-methoxy-3-methylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-4-5-6-7-8-9-10-13-18-29-24(26)22-14-11-12-15-23(22)25(27)30-20-17-21(2)16-19-28-3/h11-12,14-15,21H,4-10,13,16-20H2,1-3H3
InChIKey YNRYDHPKUSRMSU-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(OCCC(CCOC)C)=O)=O)CCCCCCCC