| SpectraBase Compound ID | AcCns7miuhw |
|---|---|
| InChI | InChI=1S/C18H23NO2/c20-13-7-12-17(21)18(16-10-5-2-6-11-16)19-14-15-8-3-1-4-9-15/h1-6,8-11,17-21H,7,12-14H2/t17-,18-/m0/s1 |
| InChIKey | DDAZVLBOMDUCNM-ROUUACIJSA-N |
| Mol Weight | 285.39 g/mol |
| Molecular Formula | C18H23NO2 |
| Exact Mass | 285.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pfvbVab3JN |
|---|---|
| Name | (2S,3S)-1-(Benzylamino)-1-phenyl-2,5-pentandiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.172878983 u |
| Formula | C18H23NO2 |
| InChI | InChI=1S/C18H23NO2/c20-13-7-12-17(21)18(16-10-5-2-6-11-16)19-14-15-8-3-1-4-9-15/h1-6,8-11,17-21H,7,12-14H2/t17-,18-/m0/s1 |
| InChIKey | DDAZVLBOMDUCNM-ROUUACIJSA-N |
| SMILES | [C@]([C@](C1=CC=CC=C1)(NCC1=CC=CC=C1)[H])(CCCO)(O)[H] |