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5-[2-(4-ketobutyl)-1,3-dithian-2-yl]valeraldehyde
SpectraBase Compound ID 4zW0NnNw908
InChI InChI=1S/C13H22O2S2/c14-9-4-1-2-7-13(8-3-5-10-15)16-11-6-12-17-13/h9-10H,1-8,11-12H2
InChIKey WATBYTAJJXCMCX-UHFFFAOYSA-N
Mol Weight 274.44 g/mol
Molecular Formula C13H22O2S2
Exact Mass 274.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrH5AOVSo1N
Name 5-[2-(4-ketobutyl)-1,3-dithian-2-yl]valeraldehyde
Alternate Name(s) 5-[2-(4-oxidanylidenebutyl)-1,3-dithian-2-yl]pentanal 5-[2-(4-oxobutyl)-1,3-dithian-2-yl]pentanal
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Formula C13H22O2S2
InChI InChI=1S/C13H22O2S2/c14-9-4-1-2-7-13(8-3-5-10-15)16-11-6-12-17-13/h9-10H,1-8,11-12H2
InChIKey WATBYTAJJXCMCX-UHFFFAOYSA-N
Molecular Weight 274.437 g/mol
SMILES C1(SCCCS1)(CCCC=O)CCCCC=O
SPLASH splash10-0fe0-0590000000-3bef6f998c3ed5cbd05e
Source of Spectrum F-48-10414-0
Wiley ID 1277842