| SpectraBase Compound ID | LEOGPFcEgxs |
|---|---|
| InChI | InChI=1S/C17H14F2O4/c1-2-6-22-16(20)11-4-3-5-12(7-11)17(21)23-15-9-13(18)8-14(19)10-15/h3-5,7-10H,2,6H2,1H3 |
| InChIKey | BZYGAYUWICITRD-UHFFFAOYSA-N |
| Mol Weight | 320.29 g/mol |
| Molecular Formula | C17H14F2O4 |
| Exact Mass | 320.086015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Byf9FtyunN |
|---|---|
| Name | Isophthalic acid, 3,5-difluorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.086015253 u |
| Formula | C17H14F2O4 |
| InChI | InChI=1S/C17H14F2O4/c1-2-6-22-16(20)11-4-3-5-12(7-11)17(21)23-15-9-13(18)8-14(19)10-15/h3-5,7-10H,2,6H2,1H3 |
| InChIKey | BZYGAYUWICITRD-UHFFFAOYSA-N |
| Molecular Weight | 320.292 g/mol |
| SMILES | C1=C(C=C(C=C1F)OC(C1=CC(C(OCCC)=O)=CC=C1)=O)F |