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N-METHYL-[METHYL-(PHENYLSULFONYL)]-PYRIDINIUM-IODIDE
SpectraBase Compound ID 89uuyQ7Lsii
InChI InChI=1S/C13H14NO2S.HI/c1-14-9-5-6-12(10-14)11-17(15,16)13-7-3-2-4-8-13;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChIKey GESLCQBQDYBRLK-UHFFFAOYSA-M
Mol Weight 375.22 g/mol
Molecular Formula C13H14INO2S
Exact Mass 374.978995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pwOhdR4E2z
Name N-Methyl-3-[(phenylsulfonyl)methyl]pyridinium iodide
CAS Registry Number 1620-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14INO2S
InChI InChI=1S/C13H14NO2S.HI/c1-14-9-5-6-12(10-14)11-17(15,16)13-7-3-2-4-8-13;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChIKey GESLCQBQDYBRLK-UHFFFAOYSA-M
Molecular Weight 375.224 g/mol
SMILES [I-].C(S(=O)(=O)c1ccccc1)c1c[n+](C)ccc1
SPLASH splash10-0006-9310000000-48ade9985ee50c367cc3
Source of Spectrum J-57-6418-1
Synonyms 1-Methyl-3-[(phenylsulfonyl)methyl]pyridinium iodide
Wiley ID 1357063