| SpectraBase Spectrum ID |
iXrfapf7Q7 |
| Name |
Terephthalic acid, 2-fluoroethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.126737251 u |
| Formula |
C15H19FO4 |
| InChI |
InChI=1S/C15H19FO4/c1-2-3-4-10-19-14(17)12-5-7-13(8-6-12)15(18)20-11-9-16/h5-8H,2-4,9-11H2,1H3 |
| InChIKey |
VESTXGCUCVJZCC-UHFFFAOYSA-N |
| Molecular Weight |
282.311 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(OCCF)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900223 |
