| SpectraBase Compound ID | GsCiekDx8SZ |
|---|---|
| InChI | InChI=1S/C16H21F2NO3/c1-2-3-4-5-6-10-22-14(20)11-19-16(21)15-12(17)8-7-9-13(15)18/h7-9H,2-6,10-11H2,1H3,(H,19,21) |
| InChIKey | FAYGEUDQFKZTJW-UHFFFAOYSA-N |
| Mol Weight | 313.34 g/mol |
| Molecular Formula | C16H21F2NO3 |
| Exact Mass | 313.14895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 70p5DedJrtX |
|---|---|
| Name | Glycine, N-(2,6-difluorobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.148949863 u |
| Formula | C16H21F2NO3 |
| InChI | InChI=1S/C16H21F2NO3/c1-2-3-4-5-6-10-22-14(20)11-19-16(21)15-12(17)8-7-9-13(15)18/h7-9H,2-6,10-11H2,1H3,(H,19,21) |
| InChIKey | FAYGEUDQFKZTJW-UHFFFAOYSA-N |
| Molecular Weight | 313.345 g/mol |
| SMILES | C1=CC=C(C(=C1F)C(NCC(OCCCCCCC)=O)=O)F |