![Butanoic acid, 2-[(trifluoroacetyl)amino]-, 1-methylpentyl ester](/api/spectrum/5EACvOOBEz6/structure.png?h=300&w=458 "Butanoic acid, 2-[(trifluoroacetyl)amino]-, 1-methylpentyl ester")
| SpectraBase Compound ID | eCDjNRI9zd |
|---|---|
| InChI | InChI=1S/C12H20F3NO3/c1-4-6-7-8(3)19-10(17)9(5-2)16-11(18)12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,18) |
| InChIKey | LPRCOOJBLZBVQM-UHFFFAOYSA-N |
| Mol Weight | 283.29 g/mol |
| Molecular Formula | C12H20F3NO3 |
| Exact Mass | 283.139528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5EACvOOBEz6 |
|---|---|
| Name | Butanoic acid, 2-[(trifluoroacetyl)amino]-, 1-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.139527994 u |
| Formula | C12H20F3NO3 |
| InChI | InChI=1S/C12H20F3NO3/c1-4-6-7-8(3)19-10(17)9(5-2)16-11(18)12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,18) |
| InChIKey | LPRCOOJBLZBVQM-UHFFFAOYSA-N |
| Molecular Weight | 283.291 g/mol |
| SMILES | C(NC(C(F)(F)F)=O)(C(OC(CCCC)C)=O)CC |