| SpectraBase Spectrum ID |
EXHiOEnB96Z |
| Name |
Terephthalic acid, ethyl 2-ethylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-4-12(5-2)11-20-16(18)14-9-7-13(8-10-14)15(17)19-6-3/h7-10,12H,4-6,11H2,1-3H3 |
| InChIKey |
BMTWWUKKETVQIP-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCC(CC)CC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869518 |
