| SpectraBase Spectrum ID |
1650JLj9Eme |
| Name |
Terephthalic acid, isohexyl 2-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.198759378 u |
| Formula |
C23H28O4 |
| InChI |
InChI=1S/C23H28O4/c1-16(2)8-7-15-26-22(24)18-11-13-19(14-12-18)23(25)27-21-10-6-5-9-20(21)17(3)4/h5-6,9-14,16-17H,7-8,15H2,1-4H3 |
| InChIKey |
OYQGXXIRMDNVSG-UHFFFAOYSA-N |
| Molecular Weight |
368.473 g/mol |
| SMILES |
CC(C)CCCOC(C1=CC=C(C=C1)C(OC1=CC=CC=C1C(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940265 |
