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1-butoxy-3-[(1-oxidopyridin-1-ium-2-yl)thio]propan-2-ol
SpectraBase Compound ID GYMIT3JH6qv
InChI InChI=1S/C12H19NO3S/c1-2-3-8-16-9-11(14)10-17-12-6-4-5-7-13(12)15/h4-7,11,14H,2-3,8-10H2,1H3
InChIKey HXCBIUQYEUMENC-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C12H19NO3S
Exact Mass 257.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaDD1zXpZ9E
Name 1-Butoxy-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-2-ol
CAS Registry Number 128729-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3S
InChI InChI=1S/C12H19NO3S/c1-2-3-8-16-9-11(14)10-17-12-6-4-5-7-13(12)15/h4-7,11,14H,2-3,8-10H2,1H3
InChIKey HXCBIUQYEUMENC-UHFFFAOYSA-N
Molecular Weight 257.348 g/mol
SMILES OC(CSc1[n+]([O-])cccc1)COCCCC
SPLASH splash10-004i-3900000000-4c2951350de8d257e899
Source of Spectrum F-46-2547-2
Synonyms 1-Butoxy-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-2-ol 1-Butoxy-3-[(1-oxido-2-pyridin-1-iumyl)thio]-2-propanol 1-Butoxy-3-[(1-oxidopyridin-1-ium-2-yl)thio]propan-2-ol
Wiley ID 1260635