| SpectraBase Compound ID | D8CTOIIWl8i |
|---|---|
| InChI | InChI=1S/C27H29O3P/c28-27(22-13-5-1-6-14-22)30-26-20-12-2-7-15-23(26)21-31(29,24-16-8-3-9-17-24)25-18-10-4-11-19-25/h1,3-6,8-11,13-14,16-19,23,26H,2,7,12,15,20-21H2/t23-,26+/m0/s1 |
| InChIKey | RMKCXPZZJVWTEN-JYFHCDHNSA-N |
| Mol Weight | 432.5 g/mol |
| Molecular Formula | C27H29O3P |
| Exact Mass | 432.185432 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fcd7BvwTubt |
|---|---|
| Name | (1R*,2R*)-2-Diphenylphiosphinoylmethylcycloheptan-1-yl benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H29O3P |
| InChI | InChI=1S/C27H29O3P/c28-27(22-13-5-1-6-14-22)30-26-20-12-2-7-15-23(26)21-31(29,24-16-8-3-9-17-24)25-18-10-4-11-19-25/h1,3-6,8-11,13-14,16-19,23,26H,2,7,12,15,20-21H2/t23-,26+/m0/s1 |
| InChIKey | RMKCXPZZJVWTEN-JYFHCDHNSA-N |
| Molecular Weight | 432.500 g/mol |
| SMILES | C(P(=O)(c1ccccc1)c1ccccc1)[C@]1([C@](OC(=O)c2ccccc2)(CCCCC1)[H])[H] |
| SPLASH | splash10-0wmi-0095100000-63d6ecd80b54b50cf531 |
| Source of Spectrum | KC-0-3420-25 |
| Wiley ID | 829582 |