| SpectraBase Spectrum ID |
AwSAP2rxjp7 |
| Name |
Terephthalic acid, 2-decyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-4-6-8-10-12-14-16-22(3)30-26(28)24-19-17-23(18-20-24)25(27)29-21-15-13-11-9-7-5-2/h17-20,22H,4-16,21H2,1-3H3 |
| InChIKey |
AGUBEKOVELPQNC-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936817 |
