| SpectraBase Compound ID | 5dhSYGvxcuC |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-5-16-12(15)13-10(4)11(14)17-8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey | QVNNZMLPTQZXQR-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 | 7TBD68suzsP |
|---|---|
| Name | L-Alanine, N-ethoxycarbonyl-, isohexyl 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/c1-5-16-12(15)13-10(4)11(14)17-8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey | QVNNZMLPTQZXQR-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | CCOC(NC(C(OCCCC(C)C)=O)C)=O |