| SpectraBase Compound ID | Dc2Rm8zQx44 |
|---|---|
| InChI | InChI=1S/C14H27NO3/c1-5-6-9-13(16)15-12(4)14(17)18-10-7-8-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,16) |
| InChIKey | CUNBISVRKLKSSI-UHFFFAOYSA-N |
| Mol Weight | 257.37 g/mol |
| Molecular Formula | C14H27NO3 |
| Exact Mass | 257.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAf3vuL2hAq |
|---|---|
| Name | L-Alanine, N-valeryl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.199093730 u |
| Formula | C14H27NO3 |
| InChI | InChI=1S/C14H27NO3/c1-5-6-9-13(16)15-12(4)14(17)18-10-7-8-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,16) |
| InChIKey | CUNBISVRKLKSSI-UHFFFAOYSA-N |
| Molecular Weight | 257.374 g/mol |
| SMILES | C(COC(C(NC(=O)CCCC)C)=O)CC(C)C |