| SpectraBase Compound ID | B6XimXFlsO1 |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-4-6-7-14-8-10-15(11-9-14)16(19)18-13(3)17(20)21-12-5-2/h8-11,13H,4-7,12H2,1-3H3,(H,18,19) |
| InChIKey | NSMJOFLSZQLNLM-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 | 8jz5yOPF0m8 |
|---|---|
| Name | L-Alanine, N-(4-butylbenzoyl)-, propyl 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/c1-4-6-7-14-8-10-15(11-9-14)16(19)18-13(3)17(20)21-12-5-2/h8-11,13H,4-7,12H2,1-3H3,(H,18,19) |
| InChIKey | NSMJOFLSZQLNLM-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(NC(C(OCCC)=O)C)=O)CCCC |