| SpectraBase Spectrum ID |
BsueTg3Z9HJ |
| Name |
Terephthalic acid, decyl 4-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/c1-4-7-9-10-11-12-13-14-21-29-25(27)22-17-19-23(20-18-22)26(28)30-24(15-6-3)16-8-5-2/h17-20,24H,4-16,21H2,1-3H3 |
| InChIKey |
KBNHHAYQXQPXRL-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(CCCC)CCC)=O)C(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898416 |
