| SpectraBase Spectrum ID |
5pxfJoVhPZ8 |
| Name |
Terephthalic acid, butyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-3-5-7-8-14-22-18(20)16-11-9-15(10-12-16)17(19)21-13-6-4-2/h9-12H,3-8,13-14H2,1-2H3 |
| InChIKey |
GDIZYHPLLWHSOE-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCCC)=O)C(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898556 |
