| SpectraBase Spectrum ID |
F0FLffVOEDA |
| Name |
Terephthalic acid, 4,4-dimethylpent-3-yl pentyl 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/c1-6-8-9-14-23-18(21)15-10-12-16(13-11-15)19(22)24-17(7-2)20(3,4)5/h10-13,17H,6-9,14H2,1-5H3 |
| InChIKey |
URJMGPFJUQWNQO-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(=O)OC(C(C)(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965489 |
