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Terephthalic acid, di(3-methylbenzyl) ester
SpectraBase Compound ID AIfjRzwDfqE
InChI InChI=1S/C24H22O4/c1-17-5-3-7-19(13-17)15-27-23(25)21-9-11-22(12-10-21)24(26)28-16-20-8-4-6-18(2)14-20/h3-14H,15-16H2,1-2H3
InChIKey NSEYHZYRUBZYGC-UHFFFAOYSA-N
Mol Weight 374.44 g/mol
Molecular Formula C24H22O4
Exact Mass 374.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID yR2cvYMDjg
Name Terephthalic acid, di(3-methylbenzyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.151809184 u
Formula C24H22O4
InChI InChI=1S/C24H22O4/c1-17-5-3-7-19(13-17)15-27-23(25)21-9-11-22(12-10-21)24(26)28-16-20-8-4-6-18(2)14-20/h3-14H,15-16H2,1-2H3
InChIKey NSEYHZYRUBZYGC-UHFFFAOYSA-N
Molecular Weight 374.436 g/mol
SMILES C1=CC(=CC=C1C(OCC1=CC(=CC=C1)C)=O)C(OCC=1C=CC=C(C)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860363