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Terephthalic acid, isohexyl 2-methoxyethyl ester
SpectraBase Compound ID CMN0KFu4An0
InChI InChI=1S/C17H24O5/c1-13(2)5-4-10-21-16(18)14-6-8-15(9-7-14)17(19)22-12-11-20-3/h6-9,13H,4-5,10-12H2,1-3H3
InChIKey PAIIEXYVMIDCJG-UHFFFAOYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3FkavaPX02R
Name Terephthalic acid, isohexyl 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.162373868 u
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-13(2)5-4-10-21-16(18)14-6-8-15(9-7-14)17(19)22-12-11-20-3/h6-9,13H,4-5,10-12H2,1-3H3
InChIKey PAIIEXYVMIDCJG-UHFFFAOYSA-N
SMILES C(C1=CC=C(C=C1)C(OCCCC(C)C)=O)(OCCOC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894167