| 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 | 2Na8vhy1cSw |
|---|---|
| Name | 3-(1-METHYL-2-PYRIDINIOTHIO)-1-PROPANESULFONATE |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. 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 | 247.0334 |
| SMILES | c1[n+](C)c(SCCCS([O-])(=O)=O)ccc1 |
| SPLASH | splash10-057u-9100000000-0be2a189014151172f29 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |