| SpectraBase Spectrum ID |
G8I08E2VLXC |
| Name |
Terephthalic acid, ethyl 2,4,4-trimethylpentyl 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/c1-6-21-16(19)14-7-9-15(10-8-14)17(20)22-12-13(2)11-18(3,4)5/h7-10,13H,6,11-12H2,1-5H3 |
| InChIKey |
IPPOQGBRLFZALP-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCC(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89647 |
