| SpectraBase Compound ID | 3zrG76IlKhG |
|---|---|
| InChI | InChI=1S/C18H16F2O4/c1-2-9-23-17(21)13-5-3-4-6-14(13)18(22)24-11-12-7-8-15(19)16(20)10-12/h3-8,10H,2,9,11H2,1H3 |
| InChIKey | RWWICPNNNSEYNZ-UHFFFAOYSA-N |
| Mol Weight | 334.32 g/mol |
| Molecular Formula | C18H16F2O4 |
| Exact Mass | 334.101665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2gnJJMyuxv |
|---|---|
| Name | Phthalic acid, 3,4-difluorobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.101665317 u |
| Formula | C18H16F2O4 |
| InChI | InChI=1S/C18H16F2O4/c1-2-9-23-17(21)13-5-3-4-6-14(13)18(22)24-11-12-7-8-15(19)16(20)10-12/h3-8,10H,2,9,11H2,1H3 |
| InChIKey | RWWICPNNNSEYNZ-UHFFFAOYSA-N |
| Molecular Weight | 334.319 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O |