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5-Methoxy-4-(benzylsulfonyl)-6-(2'-propenyl)-1,3-benzodioxole
SpectraBase Compound ID KLbnEUnO4IW
InChI InChI=1S/C18H18O5S/c1-3-7-14-10-15-17(23-12-22-15)18(16(14)21-2)24(19,20)11-13-8-5-4-6-9-13/h3-6,8-10H,1,7,11-12H2,2H3
InChIKey RXOFORXFRKZHDL-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C18H18O5S
Exact Mass 346.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvMA66thB2b
Name 5-Methoxy-4-(benzylsulfonyl)-6-(2'-propenyl)-1,3-benzodioxole
Alternate Name(s) 6-Allyl-4-(benzylsulfonyl)-5-methoxy-1,3-benzodioxole 6-Allyl-5-methoxy-1,3-benzodioxol-4-yl benzyl sulfone
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Formula C18H18O5S
InChI InChI=1S/C18H18O5S/c1-3-7-14-10-15-17(23-12-22-15)18(16(14)21-2)24(19,20)11-13-8-5-4-6-9-13/h3-6,8-10H,1,7,11-12H2,2H3
InChIKey RXOFORXFRKZHDL-UHFFFAOYSA-N
Molecular Weight 346.397 g/mol
SMILES c1(S(Cc2ccccc2)(=O)=O)c2c(OCO2)cc(c1OC)CC=C
SPLASH splash10-0006-9103000000-98532abddbc770412720
Source of Spectrum I-78-1354-25
Wiley ID 812824