| SpectraBase Compound ID | I7gnACoT5Um |
|---|---|
| InChI | InChI=1S/C16H21F2NO3/c1-3-4-5-6-10-22-16(21)11(2)19-15(20)14-12(17)8-7-9-13(14)18/h7-9,11H,3-6,10H2,1-2H3,(H,19,20) |
| InChIKey | LNRWNQRGGIYTBY-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 | KyLadNRqc3k |
|---|---|
| Name | L-Alanine, N-(2,6-difluorobenzoyl)-, hexyl 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/c1-3-4-5-6-10-22-16(21)11(2)19-15(20)14-12(17)8-7-9-13(14)18/h7-9,11H,3-6,10H2,1-2H3,(H,19,20) |
| InChIKey | LNRWNQRGGIYTBY-UHFFFAOYSA-N |
| Molecular Weight | 313.345 g/mol |
| SMILES | C1=C(C(=C(C=C1)F)C(NC(C)C(OCCCCCC)=O)=O)F |