| SpectraBase Compound ID | KzC1pXMUm4a |
|---|---|
| InChI | InChI=1S/C11H5F7O3/c12-9(13,10(14,15)11(16,17)18)8(20)21-7-3-1-2-6(4-7)5-19/h1-5H |
| InChIKey | NDQYMZFRZHCERO-UHFFFAOYSA-N |
| Mol Weight | 318.15 g/mol |
| Molecular Formula | C11H5F7O3 |
| Exact Mass | 318.012691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLdbUcmqHIo |
|---|---|
| Name | 3-Hydroxybenzaldehyde, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.012691159 u |
| Formula | C11H5F7O3 |
| InChI | InChI=1S/C11H5F7O3/c12-9(13,10(14,15)11(16,17)18)8(20)21-7-3-1-2-6(4-7)5-19/h1-5H |
| InChIKey | NDQYMZFRZHCERO-UHFFFAOYSA-N |
| Molecular Weight | 318.147 g/mol |
| SMILES | C(=O)C1=CC(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C1 |