| SpectraBase Compound ID | 3EMl8giQWhW |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-4-6-7-8-9-17-11(14)10(3)13-12(15)16-5-2/h10H,4-9H2,1-3H3,(H,13,15) |
| InChIKey | VXMQTKSUZIKFJU-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 | 2ic9xe3OQLk |
|---|---|
| Name | L-Alanine, N-ethoxycarbonyl-, 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/c1-4-6-7-8-9-17-11(14)10(3)13-12(15)16-5-2/h10H,4-9H2,1-3H3,(H,13,15) |
| InChIKey | VXMQTKSUZIKFJU-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | CCOC(NC(C(OCCCCCC)=O)C)=O |