| SpectraBase Compound ID | JQPxkNadQUB |
|---|---|
| InChI | InChI=1S/C14H12F7NO3/c1-2-25-10(23)8-22(9-6-4-3-5-7-9)11(24)12(15,16)13(17,18)14(19,20)21/h3-7H,2,8H2,1H3 |
| InChIKey | HSRHRNVRJPMBHI-UHFFFAOYSA-N |
| Mol Weight | 375.24 g/mol |
| Molecular Formula | C14H12F7NO3 |
| Exact Mass | 375.07054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEV8jPX6U0f |
|---|---|
| Name | N-Heptafluorobutyryl-N-phenylglycine, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.070540388 u |
| Formula | C14H12F7NO3 |
| InChI | InChI=1S/C14H12F7NO3/c1-2-25-10(23)8-22(9-6-4-3-5-7-9)11(24)12(15,16)13(17,18)14(19,20)21/h3-7H,2,8H2,1H3 |
| InChIKey | HSRHRNVRJPMBHI-UHFFFAOYSA-N |
| Molecular Weight | 375.243 g/mol |
| SMILES | C1=CC=CC(=C1)N(CC(=O)OCC)C(=O)C(C(C(F)(F)F)(F)F)(F)F |