| SpectraBase Spectrum ID |
LjAKI15b5wK |
| Name |
Terephthalic acid, 2-decyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-5-6-7-8-9-10-13-20(4)28-24(26)22-16-14-21(15-17-22)23(25)27-18-11-12-19(2)3/h14-17,19-20H,5-13,18H2,1-4H3 |
| InChIKey |
RBCKUCGANMXGLK-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCC(C)C)=O)C(OC(CCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953069 |
