| SpectraBase Compound ID | Jp5KYuW4dkv |
|---|---|
| InChI | InChI=1S/C11H14BrF7O2/c12-6-4-2-1-3-5-7-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-7H2 |
| InChIKey | YVJQMSYDEPITAF-UHFFFAOYSA-N |
| Mol Weight | 391.12 g/mol |
| Molecular Formula | C11H14BrF7O2 |
| Exact Mass | 390.00654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpVJh6w0QOb |
|---|---|
| Name | 7-Bromo-1-heptanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.006539830 u |
| Formula | C11H14BrF7O2 |
| InChI | InChI=1S/C11H14BrF7O2/c12-6-4-2-1-3-5-7-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-7H2 |
| InChIKey | YVJQMSYDEPITAF-UHFFFAOYSA-N |
| Molecular Weight | 391.124 g/mol |
| SMILES | C(Br)CCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F |