| SpectraBase Spectrum ID |
26nEeDwdtK7 |
| Name |
Phthalic acid, ethyl 3-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.079787058 u |
| Formula |
C16H13FO4 |
| InChI |
InChI=1S/C16H13FO4/c1-2-20-15(18)13-8-3-4-9-14(13)16(19)21-12-7-5-6-11(17)10-12/h3-10H,2H2,1H3 |
| InChIKey |
ZJWHDXWVRDYSTB-UHFFFAOYSA-N |
| Molecular Weight |
288.274 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCC)=O)C(OC1=CC(=CC=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836422 |
