| SpectraBase Compound ID | KBWfvVZo0j6 |
|---|---|
| InChI | InChI=1S/C14H25NO4/c1-4-6-7-8-9-11-18-13(16)12(3)15-14(17)19-10-5-2/h5,12H,2,4,6-11H2,1,3H3,(H,15,17) |
| InChIKey | KCBZSMUCQHABEL-UHFFFAOYSA-N |
| Mol Weight | 271.36 g/mol |
| Molecular Formula | C14H25NO4 |
| Exact Mass | 271.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dbj3JXzBZe |
|---|---|
| Name | L-Alanine, N-allyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.178358285 u |
| Formula | C14H25NO4 |
| InChI | InChI=1S/C14H25NO4/c1-4-6-7-8-9-11-18-13(16)12(3)15-14(17)19-10-5-2/h5,12H,2,4,6-11H2,1,3H3,(H,15,17) |
| InChIKey | KCBZSMUCQHABEL-UHFFFAOYSA-N |
| Molecular Weight | 271.357 g/mol |
| SMILES | C=CCOC(NC(C(OCCCCCCC)=O)C)=O |