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4-(Phenylsulfonyl)hexa-4,5-dien-1-al
SpectraBase Compound ID 5sw6BQvDdH3
InChI InChI=1S/C12H12O3S/c1-2-11(9-6-10-13)16(14,15)12-7-4-3-5-8-12/h3-5,7-8,10H,1,6,9H2
InChIKey ZYWUSOPAPOXHME-UHFFFAOYSA-N
Mol Weight 236.28 g/mol
Molecular Formula C12H12O3S
Exact Mass 236.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyKVmNdKegc
Name 4-(Phenylsulfonyl)hexa-4,5-dien-1-al
Comments Less than 3 mono-isotopic peaks
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Formula C12H12O3S
InChI InChI=1S/C12H12O3S/c1-2-11(9-6-10-13)16(14,15)12-7-4-3-5-8-12/h3-5,7-8,10H,1,6,9H2
InChIKey ZYWUSOPAPOXHME-UHFFFAOYSA-N
Molecular Weight 236.285 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(=C=C)CCC=O
SPLASH splash10-000i-0090000000-70408be0d2c119fba2ab
Source of Spectrum F-66-3693-15bH
Wiley ID 1685452