| SpectraBase Compound ID | 9WeekZCIQtA |
|---|---|
| InChI | InChI=1S/C19H19FO4/c1-2-3-6-12-23-18(21)16-10-4-5-11-17(16)19(22)24-15-9-7-8-14(20)13-15/h4-5,7-11,13H,2-3,6,12H2,1H3 |
| InChIKey | ISTBCVLISYDAFF-UHFFFAOYSA-N |
| Mol Weight | 330.36 g/mol |
| Molecular Formula | C19H19FO4 |
| Exact Mass | 330.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Jnj41envgi |
|---|---|
| Name | Phthalic acid, 3-fluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.126737251 u |
| Formula | C19H19FO4 |
| InChI | InChI=1S/C19H19FO4/c1-2-3-6-12-23-18(21)16-10-4-5-11-17(16)19(22)24-15-9-7-8-14(20)13-15/h4-5,7-11,13H,2-3,6,12H2,1H3 |
| InChIKey | ISTBCVLISYDAFF-UHFFFAOYSA-N |
| Molecular Weight | 330.355 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCC)=O)C(OC1=CC(=CC=C1)F)=O |