| SpectraBase Spectrum ID |
30j4Th5avDw |
| Name |
Terephthalic acid, 3-fluorobenzyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.142387315 u |
| Formula |
C20H21FO4 |
| InChI |
InChI=1S/C20H21FO4/c1-2-3-4-12-24-19(22)16-8-10-17(11-9-16)20(23)25-14-15-6-5-7-18(21)13-15/h5-11,13H,2-4,12,14H2,1H3 |
| InChIKey |
WWHJEQNGAVCTKR-UHFFFAOYSA-N |
| Molecular Weight |
344.382 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCC)=O)C(=O)OCC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893049 |
