| SpectraBase Spectrum ID |
GkYZo32D8p6 |
| Name |
Terephthalic acid, 2-ethylbutyl isobutyl 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/c1-5-14(6-2)12-22-18(20)16-9-7-15(8-10-16)17(19)21-11-13(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3 |
| InChIKey |
QSSWTONGKCOIAS-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCC(CC)CC)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90975 |
