| SpectraBase Compound ID | 5mnQSDtP958 |
|---|---|
| InChI | InChI=1S/C9H13NO3S2/c1-10-6-3-2-5-9(10)14-7-4-8-15(11,12)13/h2-3,5-6H,4,7-8H2,1H3 |
| InChIKey | NRSLWUYLLWIPOO-UHFFFAOYSA-N |
| Mol Weight | 247.33 g/mol |
| Molecular Formula | C9H13NO3S2 |
| Exact Mass | 247.033686 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 68ZevFUHGcz |
|---|---|
| Name | 3-(1-Methyl-2-pyridiniothio)-1-propanesulfonate |
| CAS Registry Number | 299928-39-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H13NO3S2 |
| InChI | InChI=1S/C9H13NO3S2/c1-10-6-3-2-5-9(10)14-7-4-8-15(11,12)13/h2-3,5-6H,4,7-8H2,1H3 |
| InChIKey | NRSLWUYLLWIPOO-UHFFFAOYSA-N |
| Molecular Weight | 247.327 g/mol |
| SMILES | c1cccc([n+]1C)SCCCS(=O)(=O)[O-] |
| SPLASH | splash10-057u-9100000000-5dfc356a3152af735f43 |
| Wiley ID | 1468949 |