| SpectraBase Spectrum ID |
E1JPn6DepWw |
| Name |
Terephthalic acid, hexyl 4-methylpent-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-5-6-7-8-13-23-19(21)17-9-11-18(12-10-17)20(22)24-16(4)14-15(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3 |
| InChIKey |
IAZOTEPVAJVJMA-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCCCCC)=O)C(OC(C)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935925 |
