| SpectraBase Compound ID | 9kgPbzw5vZq |
|---|---|
| InChI | InChI=1S/C12H18NOS.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1 |
| InChIKey | PCGVSJGEHWZOBK-UHFFFAOYSA-M |
| Mol Weight | 351.24647 g/mol |
| Molecular Formula | C12H18INOS |
| Exact Mass | 351.01538 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5R0HnXYHTyG |
|---|---|
| Name | Benzoylthiocholine iodide |
| CAS Registry Number | 10561-14-5 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18INOS |
| InChI | InChI=1S/C12H18NOS.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1 |
| InChIKey | PCGVSJGEHWZOBK-UHFFFAOYSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 26562M |
| Solvent | Polysol-d |
| Synonyms | (2-Mercaptoethyl)trimethylammonium iodide, benzoate |