| SpectraBase Compound ID | D5TsHpIcedn |
|---|---|
| InChI | InChI=1S/C18H16F2O4/c1-2-3-8-23-17(21)15-6-4-5-7-16(15)18(22)24-14-10-12(19)9-13(20)11-14/h4-7,9-11H,2-3,8H2,1H3 |
| InChIKey | IRUIEEHJTMFBOX-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 | 45UXC53Ak0N |
|---|---|
| Name | Phthalic acid, butyl 3,5-difluorophenyl 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/c1-2-3-8-23-17(21)15-6-4-5-7-16(15)18(22)24-14-10-12(19)9-13(20)11-14/h4-7,9-11H,2-3,8H2,1H3 |
| InChIKey | IRUIEEHJTMFBOX-UHFFFAOYSA-N |
| Molecular Weight | 334.319 g/mol |
| SMILES | C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(OCCCC)=O)=O |