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

*Links on SpectraBase are not permalinks.

Phthalic acid, hexyl 2-methylbutyl ester

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

Phthalic acid, hexyl 2-methylbutyl ester
SpectraBase Compound ID K8T69uixaIi
InChI InChI=1S/C19H28O4/c1-4-6-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-14-15(3)5-2/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3
InChIKey SPQUUOKEKWBHEH-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 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 ViqbovcR0m
Name Phthalic acid, hexyl 2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-4-6-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-14-15(3)5-2/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3
InChIKey SPQUUOKEKWBHEH-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(C1=C(C=CC=C1)C(OCC(CC)C)=O)(OCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851745