| SpectraBase Spectrum ID |
DTbxoHRM715 |
| Name |
Terephthalic acid, 4-octyl octyl 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/c1-4-7-9-10-11-12-19-27-23(25)20-15-17-21(18-16-20)24(26)28-22(13-6-3)14-8-5-2/h15-18,22H,4-14,19H2,1-3H3 |
| InChIKey |
OJPRVYKBJMWKNS-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(CCCC)CCC)=O)C(OCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925967 |
