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Phthalic acid, hexyl 4-octyl ester

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

Phthalic acid, hexyl 4-octyl ester
SpectraBase Compound ID ApNuyeALdhN
InChI InChI=1S/C22H34O4/c1-4-7-9-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18(13-6-3)14-8-5-2/h10-11,15-16,18H,4-9,12-14,17H2,1-3H3
InChIKey PHIUJMZTQXUMDR-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K44YrxwdGeJ
Name Phthalic acid, hexyl 4-octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-4-7-9-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18(13-6-3)14-8-5-2/h10-11,15-16,18H,4-9,12-14,17H2,1-3H3
InChIKey PHIUJMZTQXUMDR-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES CCCCCCOC(C1=C(C(OC(CCCC)CCC)=O)C=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955175