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5-Methoxy-4-(methylsulfinyl)-6-(2'-propenyl)-1,3-benzodioxole
SpectraBase Compound ID Jdr1ijaXx8V
InChI InChI=1S/C12H14O4S/c1-4-5-8-6-9-11(16-7-15-9)12(17(3)13)10(8)14-2/h4,6H,1,5,7H2,2-3H3
InChIKey RIGUNSHFXFKGGD-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTEp4ULhfJ4
Name 5-Methoxy-4-(methylsulfinyl)-6-(2'-propenyl)-1,3-benzodioxole
Comments Less than 3 mono-isotopic peaks
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Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-4-5-8-6-9-11(16-7-15-9)12(17(3)13)10(8)14-2/h4,6H,1,5,7H2,2-3H3
InChIKey RIGUNSHFXFKGGD-UHFFFAOYSA-N
Molecular Weight 254.300 g/mol
SMILES c1(c2c(OCO2)cc(c1OC)CC=C)S(=O)C
SPLASH splash10-0f79-0090000000-2a7fb30d4b1f1715f911
Source of Spectrum I-78-1353-24
Synonyms 6-allyl-5-methoxy-1,3-benzodioxol-4-yl methyl sulfoxide 6-allyl-5-methoxy-4-(methylsulfinyl)-1,3-benzodioxole
Wiley ID 812825