| SpectraBase Compound ID | Apy69dfPEma |
|---|---|
| InChI | InChI=1S/C18H20FNO2/c1-22-18(21)17(19)14-20(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m1/s1 |
| InChIKey | OBKSTEOVEUUBBH-QGZVFWFLSA-N |
| Mol Weight | 301.36 g/mol |
| Molecular Formula | C18H20FNO2 |
| Exact Mass | 301.147807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lStbGRxAXv |
|---|---|
| Name | 3-Dibenzylamino-2-fluoro-propionic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.147807049 u |
| Formula | C18H20FNO2 |
| InChI | InChI=1S/C18H20FNO2/c1-22-18(21)17(19)14-20(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m1/s1 |
| InChIKey | OBKSTEOVEUUBBH-QGZVFWFLSA-N |
| Molecular Weight | 301.361 g/mol |
| SMILES | c1ccccc1CN(Cc1ccccc1)C[C@](C(OC)=O)(F)[H] |