| SpectraBase Compound ID | J1v3osfFs4z |
|---|---|
| InChI | InChI=1S/C14H16F3NO3/c1-2-9-21-12(19)7-8-18-13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,20) |
| InChIKey | FLZAOZKNARYWDO-UHFFFAOYSA-N |
| Mol Weight | 303.28 g/mol |
| Molecular Formula | C14H16F3NO3 |
| Exact Mass | 303.108228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6vYpH1YUSY |
|---|---|
| Name | .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.108227865 u |
| Formula | C14H16F3NO3 |
| InChI | InChI=1S/C14H16F3NO3/c1-2-9-21-12(19)7-8-18-13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6H,2,7-9H2,1H3,(H,18,20) |
| InChIKey | FLZAOZKNARYWDO-UHFFFAOYSA-N |
| Molecular Weight | 303.281 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCCC)=O)=O)C(F)(F)F |