| SpectraBase Compound ID | K0RUE1nP5uV |
|---|---|
| InChI | InChI=1S/C20H25NO/c1-3-10-20(21-15-18-11-6-4-7-12-18)17(2)22-16-19-13-8-5-9-14-19/h3-9,11-14,17,20-21H,1,10,15-16H2,2H3/t17-,20+/m0/s1 |
| InChIKey | LXWHABKVYQCJPM-FXAWDEMLSA-N |
| Mol Weight | 295.43 g/mol |
| Molecular Formula | C20H25NO |
| Exact Mass | 295.193614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hr1ERTytHvt |
|---|---|
| Name | (2S,3R)-N-Benzyl-2-(benzyloxy)hex-5-en-3-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.193614428 u |
| Formula | C20H25NO |
| InChI | InChI=1S/C20H25NO/c1-3-10-20(21-15-18-11-6-4-7-12-18)17(2)22-16-19-13-8-5-9-14-19/h3-9,11-14,17,20-21H,1,10,15-16H2,2H3/t17-,20+/m0/s1 |
| InChIKey | LXWHABKVYQCJPM-FXAWDEMLSA-N |
| SMILES | C[C@@]([C@@](CC=C)(NCC=1C=CC=CC1)[H])(OCC=1C=CC=CC1)[H] |