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5-[2-(3-ketopropyl)-1,3-dithian-2-yl]valeraldehyde
SpectraBase Compound ID KmBOxSwmj7I
InChI InChI=1S/C12H20O2S2/c13-8-3-1-2-6-12(7-4-9-14)15-10-5-11-16-12/h8-9H,1-7,10-11H2
InChIKey JSRMUOSMNOUGMQ-UHFFFAOYSA-N
Mol Weight 260.41 g/mol
Molecular Formula C12H20O2S2
Exact Mass 260.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CilKfEDY2P
Name 5-[2-(3-ketopropyl)-1,3-dithian-2-yl]valeraldehyde
Alternate Name(s) 5-[2-(3-oxidanylidenepropyl)-1,3-dithian-2-yl]pentanal 5-[2-(3-oxopropyl)-1,3-dithian-2-yl]pentanal
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Formula C12H20O2S2
InChI InChI=1S/C12H20O2S2/c13-8-3-1-2-6-12(7-4-9-14)15-10-5-11-16-12/h8-9H,1-7,10-11H2
InChIKey JSRMUOSMNOUGMQ-UHFFFAOYSA-N
Molecular Weight 260.410 g/mol
SMILES C1(SCCCS1)(CCC=O)CCCCC=O
SPLASH splash10-001i-0910000000-7d76bea31a20d11a32ed
Source of Spectrum F-48-10414-0
Wiley ID 1263356