| SpectraBase Compound ID | EpvSqNRrzU1 |
|---|---|
| InChI | InChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-1-3-6(19)4-2-5/h5-6,19H,1-4H2,(H,18,20) |
| InChIKey | LZWXNHIAQTYOTA-UHFFFAOYSA-N |
| Mol Weight | 311.2 g/mol |
| Molecular Formula | C10H12F7NO2 |
| Exact Mass | 311.075626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6es9fTPiDgT |
|---|---|
| Name | Trans-4-aminocyclohexanol, N-heptafluorobutyryl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.075625769 u |
| Formula | C10H12F7NO2 |
| InChI | InChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-1-3-6(19)4-2-5/h5-6,19H,1-4H2,(H,18,20) |
| InChIKey | LZWXNHIAQTYOTA-UHFFFAOYSA-N |
| Molecular Weight | 311.200 g/mol |
| SMILES | C1(CCC(CC1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)O |