| SpectraBase Compound ID | HKi4VDDxsk9 |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-5-6-7-8-9-17-11(14)10(2)13(3)12(15)16-4/h10H,5-9H2,1-4H3 |
| InChIKey | KYZAQEQYJGVDMJ-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VJeiu8BAHe |
|---|---|
| Name | Alanine, N-methyl-N-methoxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-5-6-7-8-9-17-11(14)10(2)13(3)12(15)16-4/h10H,5-9H2,1-4H3 |
| InChIKey | KYZAQEQYJGVDMJ-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | C(CCOC(C(N(C)C(OC)=O)C)=O)CCC |