| SpectraBase Spectrum ID |
78nFlEYaqfB |
| Name |
Terephthalic acid, 3-fluorobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.111087186 u |
| Formula |
C18H17FO4 |
| InChI |
InChI=1S/C18H17FO4/c1-2-10-22-17(20)14-6-8-15(9-7-14)18(21)23-12-13-4-3-5-16(19)11-13/h3-9,11H,2,10,12H2,1H3 |
| InChIKey |
SUJREYZMXRDMII-UHFFFAOYSA-N |
| Molecular Weight |
316.328 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907517 |
