| SpectraBase Compound ID | 5FxtsXVgti5 |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-3-4-5-6-13-21-16(19)11-12-18-17(20)15-9-7-14(2)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,18,20) |
| InChIKey | ZOYFPQMDCZARMZ-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C17H25NO3 |
| Exact Mass | 291.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29C1IwFfT1r |
|---|---|
| Name | .beta.-Alanine, N-(4-methylbenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.183443666 u |
| Formula | C17H25NO3 |
| InChI | InChI=1S/C17H25NO3/c1-3-4-5-6-13-21-16(19)11-12-18-17(20)15-9-7-14(2)8-10-15/h7-10H,3-6,11-13H2,1-2H3,(H,18,20) |
| InChIKey | ZOYFPQMDCZARMZ-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(NCCC(OCCCCCC)=O)=O)C |