| SpectraBase Compound ID | Ib2PPEeMbiP |
|---|---|
| InChI | InChI=1S/C14H18FNO3/c1-3-4-8-19-14(18)10(2)16-13(17)11-6-5-7-12(15)9-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17) |
| InChIKey | QDNURYIWHPOPLW-UHFFFAOYSA-N |
| Mol Weight | 267.3 g/mol |
| Molecular Formula | C14H18FNO3 |
| Exact Mass | 267.127072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HV3X7bsFRjs |
|---|---|
| Name | L-Alanine, N-(3-fluorobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.127071604 u |
| Formula | C14H18FNO3 |
| InChI | InChI=1S/C14H18FNO3/c1-3-4-8-19-14(18)10(2)16-13(17)11-6-5-7-12(15)9-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17) |
| InChIKey | QDNURYIWHPOPLW-UHFFFAOYSA-N |
| Molecular Weight | 267.300 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C(OCCCC)=O)C)=O)F |