| SpectraBase Compound ID | 3pnt7D7k41p |
|---|---|
| InChI | InChI=1S/C12H18F3NO3/c1-19-10(17)9(16-11(18)12(13,14)15)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,16,18)/t9-/m0/s1 |
| InChIKey | MQPHPPXQOQVIFO-VIFPVBQESA-N |
| Mol Weight | 281.28 g/mol |
| Molecular Formula | C12H18F3NO3 |
| Exact Mass | 281.123878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1SXA3IfFGh |
|---|---|
| Name | (S)-Methyl 2-(trifluoroacetyl)amino-3-cyclohexylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.123877930 u |
| Formula | C12H18F3NO3 |
| InChI | InChI=1S/C12H18F3NO3/c1-19-10(17)9(16-11(18)12(13,14)15)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,16,18)/t9-/m0/s1 |
| InChIKey | MQPHPPXQOQVIFO-VIFPVBQESA-N |
| Molecular Weight | 281.275 g/mol |
| SMILES | C(C(N[C@](C(=O)OC)(CC1CCCCC1)[H])=O)(F)(F)F |