| SpectraBase Compound ID | 4qhLTb86qz |
|---|---|
| InChI | InChI=1S/C21H34N2O3/c1-3-4-5-6-7-8-9-13-16-22-20(24)18(2)23-21(25)26-17-19-14-11-10-12-15-19/h10-12,14-15,18H,3-9,13,16-17H2,1-2H3,(H,22,24)(H,23,25)/t18-/m0/s1 |
| InChIKey | WIYKIYSMZXRPII-SFHVURJKSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C21H34N2O3 |
| Exact Mass | 362.256943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FY39N3h6S8b |
|---|---|
| Name | N(2)-(Benzyloxycarbonyl)-N(1)-decylalaninamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.256942960 u |
| Formula | C21H34N2O3 |
| InChI | InChI=1S/C21H34N2O3/c1-3-4-5-6-7-8-9-13-16-22-20(24)18(2)23-21(25)26-17-19-14-11-10-12-15-19/h10-12,14-15,18H,3-9,13,16-17H2,1-2H3,(H,22,24)(H,23,25)/t18-/m0/s1 |
| InChIKey | WIYKIYSMZXRPII-SFHVURJKSA-N |
| Molecular Weight | 362.514 g/mol |
| SMILES | C(N[C@](C(=O)NCCCCCCCCCC)(C)[H])(=O)OCC=1C=CC=CC1 |