| SpectraBase Compound ID | Cswxw66eGF3 |
|---|---|
| InChI | InChI=1S/C16H25NO2/c1-12-7-9-13(10-8-12)17-16(5,6)14(18)19-11-15(2,3)4/h7-10,17H,11H2,1-6H3 |
| InChIKey | YNRHPSNJOCRATA-UHFFFAOYSA-N |
| Mol Weight | 263.38 g/mol |
| Molecular Formula | C16H25NO2 |
| Exact Mass | 263.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VAB8cgIhAV |
|---|---|
| Name | L-Alanine, 2-methyl-N-(4-methylphenyl)-, neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.188529047 u |
| Formula | C16H25NO2 |
| InChI | InChI=1S/C16H25NO2/c1-12-7-9-13(10-8-12)17-16(5,6)14(18)19-11-15(2,3)4/h7-10,17H,11H2,1-6H3 |
| InChIKey | YNRHPSNJOCRATA-UHFFFAOYSA-N |
| Molecular Weight | 263.381 g/mol |
| SMILES | C1(=CC=C(C=C1)C)NC(C)(C)C(=O)OCC(C)(C)C |