| SpectraBase Compound ID | DGePYQfYXNV |
|---|---|
| InChI | InChI=1S/C18H12F2O4/c1-3-11(2)23-17(21)15-6-4-5-7-16(15)18(22)24-14-9-12(19)8-13(20)10-14/h1,4-11H,2H3 |
| InChIKey | HQQOJDISJVHPBG-UHFFFAOYSA-N |
| Mol Weight | 330.29 g/mol |
| Molecular Formula | C18H12F2O4 |
| Exact Mass | 330.070365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4REwZO5Yksb |
|---|---|
| Name | Phthalic acid, but-3-yn-2-yl 3,5-difluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.070365188 u |
| Formula | C18H12F2O4 |
| InChI | InChI=1S/C18H12F2O4/c1-3-11(2)23-17(21)15-6-4-5-7-16(15)18(22)24-14-9-12(19)8-13(20)10-14/h1,4-11H,2H3 |
| InChIKey | HQQOJDISJVHPBG-UHFFFAOYSA-N |
| Molecular Weight | 330.287 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC(C#C)C)=O |