| SpectraBase Compound ID | IcnJhTdBKkz |
|---|---|
| InChI | InChI=1S/C19H28FNO3/c1-3-4-5-6-7-8-11-14-24-19(23)15(2)21-18(22)16-12-9-10-13-17(16)20/h9-10,12-13,15H,3-8,11,14H2,1-2H3,(H,21,22) |
| InChIKey | QCMWXYKKNVKOIB-UHFFFAOYSA-N |
| Mol Weight | 337.44 g/mol |
| Molecular Formula | C19H28FNO3 |
| Exact Mass | 337.205322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 716jMQpnZZq |
|---|---|
| Name | L-Alanine, N-(2-fluorobenzoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.205321926 u |
| Formula | C19H28FNO3 |
| InChI | InChI=1S/C19H28FNO3/c1-3-4-5-6-7-8-11-14-24-19(23)15(2)21-18(22)16-12-9-10-13-17(16)20/h9-10,12-13,15H,3-8,11,14H2,1-2H3,(H,21,22) |
| InChIKey | QCMWXYKKNVKOIB-UHFFFAOYSA-N |
| Molecular Weight | 337.435 g/mol |
| SMILES | C1=CC=CC(=C1C(NC(C(OCCCCCCCCC)=O)C)=O)F |