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 |