| SpectraBase Compound ID | 2BICW8UTGfz |
|---|---|
| InChI | InChI=1S/C21H30NO3P/c1-3-11-17(22)16-20(23)21(25-4-2)26(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,17,20-21,23H,3-4,11,16,22H2,1-2H3/t17?,20-,21+/m1/s1 |
| InChIKey | JKBKJRYACJNPPR-SJRAPUSDSA-N |
| Mol Weight | 375.45 g/mol |
| Molecular Formula | C21H30NO3P |
| Exact Mass | 375.196331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bwt6Bf18Ir5 |
|---|---|
| Name | (1S,2R)-4-Amino-1-diphenylphosphoryl-1-ethoxy-heptan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.196330825 u |
| Formula | C21H30NO3P |
| InChI | InChI=1S/C21H30NO3P/c1-3-11-17(22)16-20(23)21(25-4-2)26(24,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,17,20-21,23H,3-4,11,16,22H2,1-2H3/t17?,20-,21+/m1/s1 |
| InChIKey | JKBKJRYACJNPPR-SJRAPUSDSA-N |
| Molecular Weight | 375.449 g/mol |
| SMILES | [C@@](P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)([C@@](CC(N)CCC)(O)[H])(OCC)[H] |