| SpectraBase Compound ID | 6PBq5mW3kha |
|---|---|
| InChI | InChI=1S/C14H10F7NO2/c15-12(16,13(17,18)14(19,20)21)11(23)24-6-5-8-7-22-10-4-2-1-3-9(8)10/h1-4,7,22H,5-6H2 |
| InChIKey | WQSBUKBJUOSNTQ-UHFFFAOYSA-N |
| Mol Weight | 357.23 g/mol |
| Molecular Formula | C14H10F7NO2 |
| Exact Mass | 357.059976 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJj6kc91YUn |
|---|---|
| Name | 3-(2-Hydroxyethyl)indole, o-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.059975705 u |
| Formula | C14H10F7NO2 |
| InChI | InChI=1S/C14H10F7NO2/c15-12(16,13(17,18)14(19,20)21)11(23)24-6-5-8-7-22-10-4-2-1-3-9(8)10/h1-4,7,22H,5-6H2 |
| InChIKey | WQSBUKBJUOSNTQ-UHFFFAOYSA-N |
| Molecular Weight | 357.228 g/mol |
| SMILES | C12=CC=CC=C2NC=C1CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |