| SpectraBase Compound ID | B59vzoA5ldQ |
|---|---|
| InChI | InChI=1S/C14H9F7O4/c1-24-10-7-8(3-2-6-22)4-5-9(10)25-11(23)12(15,16)13(17,18)14(19,20)21/h2-7H,1H3/b3-2+ |
| InChIKey | PWFBGQHYOWETEU-NSCUHMNNSA-N |
| Mol Weight | 374.21 g/mol |
| Molecular Formula | C14H9F7O4 |
| Exact Mass | 374.038906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLjwkeTPI79 |
|---|---|
| Name | Coniferyl aldehyde, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.038905907 u |
| Formula | C14H9F7O4 |
| InChI | InChI=1S/C14H9F7O4/c1-24-10-7-8(3-2-6-22)4-5-9(10)25-11(23)12(15,16)13(17,18)14(19,20)21/h2-7H,1H3/b3-2+ |
| InChIKey | PWFBGQHYOWETEU-NSCUHMNNSA-N |
| Molecular Weight | 374.211 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)\C=C\C=O |