| SpectraBase Compound ID | 4oG4abZo9Oj |
|---|---|
| InChI | InChI=1S/C21H30N2PS.HI/c1-23(2,3)21-17-11-10-16-20(21)22-24(25,18-12-6-4-7-13-18)19-14-8-5-9-15-19;/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3,(H,22,25);1H/q+1;/p-1/t20-,21-;/m1./s1 |
| InChIKey | PPIQAHLNIDGGSN-MUCZFFFMSA-M |
| Mol Weight | 500.42 g/mol |
| Molecular Formula | C21H30IN2PS |
| Exact Mass | 500.091202 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | gqP60wjLTQ |
|---|---|
| Name | 1-N-(Diphenylthiophosphoramido)-2-(trimethylaminium)cyclohexane iodide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30IN2PS |
| InChI | InChI=1S/C21H30N2PS.HI/c1-23(2,3)21-17-11-10-16-20(21)22-24(25,18-12-6-4-7-13-18)19-14-8-5-9-15-19;/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3,(H,22,25);1H/q+1;/p-1/t20-,21-;/m1./s1 |
| InChIKey | PPIQAHLNIDGGSN-MUCZFFFMSA-M |
| Molecular Weight | 500.423 g/mol |
| SMILES | [I-].N(P(=S)(c1ccccc1)c1ccccc1)[C@]1([C@]([N+](C)(C)C)(CCCC1)[H])[H] |
| SPLASH | splash10-004i-0910000000-2aa077e643bcdea7ac84 |
| Source of Spectrum | KD-14-3412-6 |
| Wiley ID | 1636422 |