| SpectraBase Compound ID | KgRUeul7e9d |
|---|---|
| InChI | InChI=1S/C10H12F5NO5/c1-20-6(17)4-3-5(7(18)21-2)16-8(19)9(11,12)10(13,14)15/h5H,3-4H2,1-2H3,(H,16,19) |
| InChIKey | UDXGYVRFBGIEHL-UHFFFAOYSA-N |
| Mol Weight | 321.2 g/mol |
| Molecular Formula | C10H12F5NO5 |
| Exact Mass | 321.063563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92UcqJCRQoW |
|---|---|
| Name | L-Glutamic acid, N-pentafluoropropionyl-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.063563300 u |
| Formula | C10H12F5NO5 |
| InChI | InChI=1S/C10H12F5NO5/c1-20-6(17)4-3-5(7(18)21-2)16-8(19)9(11,12)10(13,14)15/h5H,3-4H2,1-2H3,(H,16,19) |
| InChIKey | UDXGYVRFBGIEHL-UHFFFAOYSA-N |
| Molecular Weight | 321.200 g/mol |
| SMILES | COC(CCC(C(OC)=O)NC(C(C(F)(F)F)(F)F)=O)=O |