| SpectraBase Compound ID | 2rANvjmhU2 |
|---|---|
| InChI | InChI=1S/C16H12F2O4/c1-2-21-15(19)13-5-3-4-6-14(13)16(20)22-12-8-10(17)7-11(18)9-12/h3-9H,2H2,1H3 |
| InChIKey | NQMGJYSUTLCJSF-UHFFFAOYSA-N |
| Mol Weight | 306.26 g/mol |
| Molecular Formula | C16H12F2O4 |
| Exact Mass | 306.070365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0x1OCTlvER |
|---|---|
| Name | Phthalic acid, 3,5-difluorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.070365188 u |
| Formula | C16H12F2O4 |
| InChI | InChI=1S/C16H12F2O4/c1-2-21-15(19)13-5-3-4-6-14(13)16(20)22-12-8-10(17)7-11(18)9-12/h3-9H,2H2,1H3 |
| InChIKey | NQMGJYSUTLCJSF-UHFFFAOYSA-N |
| Molecular Weight | 306.265 g/mol |
| SMILES | C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(=O)OCC)=O |