| SpectraBase Compound ID | BvjsHaKBfez |
|---|---|
| InChI | InChI=1S/C15H20FNO3/c1-11(2)6-5-9-20-14(18)10-17-15(19)12-7-3-4-8-13(12)16/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,19) |
| InChIKey | ZKYVQRVBZWLEDV-UHFFFAOYSA-N |
| Mol Weight | 281.33 g/mol |
| Molecular Formula | C15H20FNO3 |
| Exact Mass | 281.142722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNgGz4RERV3 |
|---|---|
| Name | Glycine, N-(2-fluorobenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.142721668 u |
| Formula | C15H20FNO3 |
| InChI | InChI=1S/C15H20FNO3/c1-11(2)6-5-9-20-14(18)10-17-15(19)12-7-3-4-8-13(12)16/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,19) |
| InChIKey | ZKYVQRVBZWLEDV-UHFFFAOYSA-N |
| Molecular Weight | 281.327 g/mol |
| SMILES | C1(=CC=CC=C1C(NCC(OCCCC(C)C)=O)=O)F |