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Phthalic acid, 6-ethyloct-3-yl methyl ester

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

Phthalic acid, 6-ethyloct-3-yl methyl ester
SpectraBase Compound ID G1PIwIcvWsT
InChI InChI=1S/C19H28O4/c1-5-14(6-2)12-13-15(7-3)23-19(21)17-11-9-8-10-16(17)18(20)22-4/h8-11,14-15H,5-7,12-13H2,1-4H3
InChIKey NNLHVOOQTJWDLH-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 DADkn13umdG
Name Phthalic acid, 6-ethyloct-3-yl methyl 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/c1-5-14(6-2)12-13-15(7-3)23-19(21)17-11-9-8-10-16(17)18(20)22-4/h8-11,14-15H,5-7,12-13H2,1-4H3
InChIKey NNLHVOOQTJWDLH-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C1=C(C(=CC=C1)C(OC)=O)C(OC(CC)CCC(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915879