![[(1S)-1-cyclohexyl-3-diphenylphosphoryl-propoxy]methylbenzene](/api/spectrum/BZaezgSv3Nn/structure.png?h=300&w=458 "[(1S)-1-cyclohexyl-3-diphenylphosphoryl-propoxy]methylbenzene")
| SpectraBase Compound ID | 8aQ1iuewMqJ |
|---|---|
| InChI | InChI=1S/C28H33O2P/c29-31(26-17-9-3-10-18-26,27-19-11-4-12-20-27)22-21-28(25-15-7-2-8-16-25)30-23-24-13-5-1-6-14-24/h1,3-6,9-14,17-20,25,28H,2,7-8,15-16,21-23H2/t28-/m0/s1 |
| InChIKey | QWWWWALKVLNKAA-NDEPHWFRSA-N |
| Mol Weight | 432.5 g/mol |
| Molecular Formula | C28H33O2P |
| Exact Mass | 432.221817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZaezgSv3Nn |
|---|---|
| Name | [(1S)-1-Cyclohexyl-3-diphenylphosphoryl-propoxy]methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.221817299 u |
| Formula | C28H33O2P |
| InChI | InChI=1S/C28H33O2P/c29-31(26-17-9-3-10-18-26,27-19-11-4-12-20-27)22-21-28(25-15-7-2-8-16-25)30-23-24-13-5-1-6-14-24/h1,3-6,9-14,17-20,25,28H,2,7-8,15-16,21-23H2/t28-/m0/s1 |
| InChIKey | QWWWWALKVLNKAA-NDEPHWFRSA-N |
| Molecular Weight | 432.544 g/mol |
| SMILES | C(P(=O)(C=1C=CC=CC1)C1=CC=CC=C1)C[C@](OCC=1C=CC=CC1)(C1CCCCC1)[H] |