| SpectraBase Compound ID | La8Tq5kNurA |
|---|---|
| InChI | InChI=1S/C17H14F2O4/c1-10(2)22-16(20)14-5-3-4-6-15(14)17(21)23-13-8-11(18)7-12(19)9-13/h3-10H,1-2H3 |
| InChIKey | PWCQNBNCCNGGBU-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 | 7WOElHEWnli |
|---|---|
| Name | Phthalic acid, 3,5-difluorophenyl 2-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/c1-10(2)22-16(20)14-5-3-4-6-15(14)17(21)23-13-8-11(18)7-12(19)9-13/h3-10H,1-2H3 |
| InChIKey | PWCQNBNCCNGGBU-UHFFFAOYSA-N |
| Molecular Weight | 320.292 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC(C)C)=O |