| SpectraBase Compound ID | IQyvgcJAMOT |
|---|---|
| InChI | InChI=1S/C9H12F3NO5/c1-17-6(14)4-3-5(7(15)18-2)13-8(16)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16) |
| InChIKey | JNCMGGUGJSCRBR-UHFFFAOYSA-N |
| Mol Weight | 271.19 g/mol |
| Molecular Formula | C9H12F3NO5 |
| Exact Mass | 271.066757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5yKkHT6PgCt |
|---|---|
| Name | L-Glutamic acid, N-trifluoroacetyl-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.066756974 u |
| Formula | C9H12F3NO5 |
| InChI | InChI=1S/C9H12F3NO5/c1-17-6(14)4-3-5(7(15)18-2)13-8(16)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16) |
| InChIKey | JNCMGGUGJSCRBR-UHFFFAOYSA-N |
| Molecular Weight | 271.192 g/mol |
| SMILES | COC(CCC(C(OC)=O)NC(C(F)(F)F)=O)=O |