| SpectraBase Compound ID | 1NdMQ72AOoj |
|---|---|
| InChI | InChI=1S/C17H23F2NO3/c1-2-3-4-5-6-7-11-23-15(21)12-20-17(22)16-13(18)9-8-10-14(16)19/h8-10H,2-7,11-12H2,1H3,(H,20,22) |
| InChIKey | DWZKEGBYVMTEDH-UHFFFAOYSA-N |
| Mol Weight | 327.37 g/mol |
| Molecular Formula | C17H23F2NO3 |
| Exact Mass | 327.1646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDcGPanoymo |
|---|---|
| Name | Glycine, N-(2,6-difluorobenzoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.164599928 u |
| Formula | C17H23F2NO3 |
| InChI | InChI=1S/C17H23F2NO3/c1-2-3-4-5-6-7-11-23-15(21)12-20-17(22)16-13(18)9-8-10-14(16)19/h8-10H,2-7,11-12H2,1H3,(H,20,22) |
| InChIKey | DWZKEGBYVMTEDH-UHFFFAOYSA-N |
| Molecular Weight | 327.372 g/mol |
| SMILES | C1=CC=C(C(=C1F)C(NCC(OCCCCCCCC)=O)=O)F |