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Phthalic acid, hexyl 2-pentyl ester

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

Phthalic acid, hexyl 2-pentyl ester
SpectraBase Compound ID AMOW1mdeYUc
InChI InChI=1S/C19H28O4/c1-4-6-7-10-14-22-18(20)16-12-8-9-13-17(16)19(21)23-15(3)11-5-2/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3
InChIKey IOGASCNNRAZLPR-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

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SpectraBase Spectrum ID EpKrTmtflqx
Name Phthalic acid, hexyl 2-pentyl 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/c1-4-6-7-10-14-22-18(20)16-12-8-9-13-17(16)19(21)23-15(3)11-5-2/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3
InChIKey IOGASCNNRAZLPR-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C)CCC)=O)(OCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912596