| SpectraBase Compound ID | 6IYiTFcq5Ip |
|---|---|
| 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 |
| Mol Weight | 288.27 g/mol |
| Molecular Formula | C16H13FO4 |
| Exact Mass | 288.079787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5aAVyQQOC4U |
|---|---|
| Name | Phthalic acid, ethyl 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |