| SpectraBase Spectrum ID |
256WeF0PdX7 |
| Name |
Terephthalic acid, ethyl 2-fluorophenethyl 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/c1-2-22-17(20)14-7-9-15(10-8-14)18(21)23-12-11-13-5-3-4-6-16(13)19/h3-10H,2,11-12H2,1H3 |
| InChIKey |
VIPSOTSDCUZPCU-UHFFFAOYSA-N |
| Molecular Weight |
316.328 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCCC1=C(C=CC=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899641 |
