| SpectraBase Compound ID | DFvI8auKFvQ |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-13(2)6-5-11-21-16(19)9-10-18-17(20)15-8-4-7-14(3)12-15/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,18,20) |
| InChIKey | FFFIGCZGYBFMAM-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 | Gx1xBIFRYrQ |
|---|---|
| Name | .beta.-Alanine, N-(3-methylbenzoyl)-, isohexyl 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/c1-13(2)6-5-11-21-16(19)9-10-18-17(20)15-8-4-7-14(3)12-15/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,18,20) |
| InChIKey | FFFIGCZGYBFMAM-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(=C1)C)C(NCCC(OCCCC(C)C)=O)=O |