| SpectraBase Compound ID | dIp3mKuuej |
|---|---|
| InChI | InChI=1S/C9H10F7NO3/c10-6(11)8(12,13)4-20-5(18)2-1-3-17-7(19)9(14,15)16/h6H,1-4H2,(H,17,19) |
| InChIKey | QCFGATQECRTBST-UHFFFAOYSA-N |
| Mol Weight | 313.17 g/mol |
| Molecular Formula | C9H10F7NO3 |
| Exact Mass | 313.05489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NnJzS7YSTB |
|---|---|
| Name | .Gamma.-aminobutyric acid, N-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.054890324 u |
| Formula | C9H10F7NO3 |
| InChI | InChI=1S/C9H10F7NO3/c10-6(11)8(12,13)4-20-5(18)2-1-3-17-7(19)9(14,15)16/h6H,1-4H2,(H,17,19) |
| InChIKey | QCFGATQECRTBST-UHFFFAOYSA-N |
| Molecular Weight | 313.172 g/mol |
| SMILES | C(NC(C(F)(F)F)=O)CCC(OCC(C(F)F)(F)F)=O |