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

*Links on SpectraBase are not permalinks.

Phthalic acid, dodecyl oct-3-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, dodecyl oct-3-yl ester
SpectraBase Compound ID 6QFLmrB07nl
InChI InChI=1S/C28H46O4/c1-4-7-9-10-11-12-13-14-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24(6-3)20-16-8-5-2/h17-18,21-22,24H,4-16,19-20,23H2,1-3H3
InChIKey FRBDMIPXEIRWSM-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FNTAkV9MIiX
Name Phthalic acid, dodecyl oct-3-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-7-9-10-11-12-13-14-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24(6-3)20-16-8-5-2/h17-18,21-22,24H,4-16,19-20,23H2,1-3H3
InChIKey FRBDMIPXEIRWSM-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(C1=CC=CC=C1C(OC(CCCCC)CC)=O)(OCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905008