| SpectraBase Compound ID | 8TolOxW91mR |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-4-5-6-10-13-22-17(20)15(2)19(3)18(21)23-14-16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3 |
| InChIKey | NWPHPJQMRUETNW-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cjSojCtyC3 |
|---|---|
| Name | Alanine, N-methyl-N-benzyloxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-4-5-6-10-13-22-17(20)15(2)19(3)18(21)23-14-16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3 |
| InChIKey | NWPHPJQMRUETNW-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | C1=CC=CC(=C1)COC(N(C(C(OCCCCCC)=O)C)C)=O |