| SpectraBase Compound ID | xxquM2ZB75 |
|---|---|
| InChI | InChI=1S/C15H23NO2/c1-6-12(3)18-14(17)15(4,5)16-13-9-7-11(2)8-10-13/h7-10,12,16H,6H2,1-5H3 |
| InChIKey | PRSZJJCBIQNSFI-UHFFFAOYSA-N |
| Mol Weight | 249.35 g/mol |
| Molecular Formula | C15H23NO2 |
| Exact Mass | 249.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJluYRVhJmY |
|---|---|
| Name | L-Alanine, 2-methyl-N-(4-methylphenyl)-, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.172878983 u |
| Formula | C15H23NO2 |
| InChI | InChI=1S/C15H23NO2/c1-6-12(3)18-14(17)15(4,5)16-13-9-7-11(2)8-10-13/h7-10,12,16H,6H2,1-5H3 |
| InChIKey | PRSZJJCBIQNSFI-UHFFFAOYSA-N |
| Molecular Weight | 249.354 g/mol |
| SMILES | C1(=CC=C(C=C1)C)NC(C)(C)C(=O)OC(CC)C |