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2-[[(2S,5R)-5-(2-naphthalenyl)-2-oxolanyl]methylthio]-1-oxidopyridin-1-ium
SpectraBase Compound ID IcIXNCdlmHF
InChI InChI=1S/C20H19NO2S/c22-21-12-4-3-7-20(21)24-14-18-10-11-19(23-18)17-9-8-15-5-1-2-6-16(15)13-17/h1-9,12-13,18-19H,10-11,14H2/t18-,19+/m0/s1
InChIKey CUYKTEWTDRRORS-RBUKOAKNSA-N
Mol Weight 337.44 g/mol
Molecular Formula C20H19NO2S
Exact Mass 337.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0ZLN1nDbHp
Name 2-[[(2S,5R)-5-(2-naphthalenyl)-2-oxolanyl]methylthio]-1-oxidopyridin-1-ium
Alternate Name(s) 2-[[(2S,5R)-5-(2-naphthyl)tetrahydrofuran-2-yl]methylsulfanyl]-1-oxido-pyridin-1-ium 2-[[(2S,5R)-5-(2-naphthyl)tetrahydrofuran-2-yl]methylthio]-1-oxido-pyridin-1-ium 2-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium 2-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methylsulfanyl]-1-oxidopyridin-1-ium
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Formula C20H19NO2S
InChI InChI=1S/C20H19NO2S/c22-21-12-4-3-7-20(21)24-14-18-10-11-19(23-18)17-9-8-15-5-1-2-6-16(15)13-17/h1-9,12-13,18-19H,10-11,14H2/t18-,19+/m0/s1
InChIKey CUYKTEWTDRRORS-RBUKOAKNSA-N
Molecular Weight 337.437 g/mol
SMILES c1([n+](cccc1)[O-])SC[C@]1(O[C@@](c2cc3ccccc3cc2)(CC1)[H])[H]
SPLASH splash10-03fr-0793000000-023a136d63b45379c123
Source of Spectrum K1-2003-4049-11
Wiley ID 1521821