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1-Hex-5-enyl-3H-isothiazolo[4,3-b]pyridine 2,2-dioxide
SpectraBase Compound ID KTuiSC8iJF
InChI InChI=1S/C12H16N2O2S/c1-2-3-4-5-9-14-12-7-6-8-13-11(12)10-17(14,15)16/h2,6-8H,1,3-5,9-10H2
InChIKey VDTQSBHWDSFTGV-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C12H16N2O2S
Exact Mass 252.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBkkNUZASiT
Name 1-Hex-5-enyl-3H-isothiazolo[4,3-b]pyridine 2,2-dioxide
Alternate Name(s) 1-Hex-5-enyl-3H-[1,2]thiazolo[4,3-b]pyridine 2,2-dioxide
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Formula C12H16N2O2S
InChI InChI=1S/C12H16N2O2S/c1-2-3-4-5-9-14-12-7-6-8-13-11(12)10-17(14,15)16/h2,6-8H,1,3-5,9-10H2
InChIKey VDTQSBHWDSFTGV-UHFFFAOYSA-N
Molecular Weight 252.332 g/mol
SMILES c12N(S(Cc1nccc2)(=O)=O)CCCCC=C
SPLASH splash10-000x-3910000000-a7e1de6939911b314276
Source of Spectrum K1-2002-952-44
Wiley ID 1522196