| SpectraBase Compound ID | 7t8QIBQAFhP |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-10(2)12(13(15)16)14-9-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16) |
| InChIKey | ALHZDGLEZWHHFP-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C13H19NO2 |
| Exact Mass | 221.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSLPpZSUivo |
|---|---|
| Name | dl-N-Phenethylvaline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.141578854 u |
| Formula | C13H19NO2 |
| InChI | InChI=1S/C13H19NO2/c1-10(2)12(13(15)16)14-9-8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16) |
| InChIKey | ALHZDGLEZWHHFP-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | N(CCC=1C=CC=CC1)C(C(O)=O)C(C)C |