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3-(1-Methyl-2-pyridiniothio)-1-propanesulfonate
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)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Na8vhy1cSw
Name 3-(1-METHYL-2-PYRIDINIOTHIO)-1-PROPANESULFONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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