| SpectraBase Compound ID | BwHx24eWrIc |
|---|---|
| InChI | InChI=1S/C16H22FNO3/c1-2-3-4-5-11-21-15(19)9-10-18-16(20)13-7-6-8-14(17)12-13/h6-8,12H,2-5,9-11H2,1H3,(H,18,20) |
| InChIKey | YOYUEPRUTMTMNH-UHFFFAOYSA-N |
| Mol Weight | 295.35 g/mol |
| Molecular Formula | C16H22FNO3 |
| Exact Mass | 295.158372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DoouU5Ckb0g |
|---|---|
| Name | .beta.-Alanine, N-(3-fluorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.158371732 u |
| Formula | C16H22FNO3 |
| InChI | InChI=1S/C16H22FNO3/c1-2-3-4-5-11-21-15(19)9-10-18-16(20)13-7-6-8-14(17)12-13/h6-8,12H,2-5,9-11H2,1H3,(H,18,20) |
| InChIKey | YOYUEPRUTMTMNH-UHFFFAOYSA-N |
| Molecular Weight | 295.354 g/mol |
| SMILES | C1=C(C=CC=C1C(NCCC(OCCCCCC)=O)=O)F |