| SpectraBase Compound ID | KbIuQMIATQm |
|---|---|
| InChI | InChI=1S/C9H14F3NO/c1-6-4-2-3-5-7(6)13-8(14)9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14) |
| InChIKey | QOYBBXGUPHQOJZ-UHFFFAOYSA-N |
| Mol Weight | 209.21 g/mol |
| Molecular Formula | C9H14F3NO |
| Exact Mass | 209.102749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J46qeboXUFO |
|---|---|
| Name | 2-Methylcyclohexylamine, N-trifluoroacetyl- (stereoisomer 2) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.102748563 u |
| Formula | C9H14F3NO |
| InChI | InChI=1S/C9H14F3NO/c1-6-4-2-3-5-7(6)13-8(14)9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14) |
| InChIKey | QOYBBXGUPHQOJZ-UHFFFAOYSA-N |
| Molecular Weight | 209.212 g/mol |
| SMILES | C1(C(CCCC1)C)NC(C(F)(F)F)=O |