| SpectraBase Spectrum ID |
2y5nBZbLWn0 |
| Name |
Terephthalic acid, isohexyl 4-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)6-5-15-26-22(24)19-7-9-20(10-8-19)23(25)27-21-13-11-18(12-14-21)17(3)4/h7-14,16-17H,5-6,15H2,1-4H3 |
| InChIKey |
GNNBRLMLKKNCSR-UHFFFAOYSA-N |
| Molecular Weight |
368.473 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCC(C)C)=O)C(OC1=CC=C(C=C1)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80252 |
