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5-Methoxy-4-(benzylsulfinyl)-6-(2'-propenyl)-1,3-benzodioxole
SpectraBase Compound ID 9cA8vU0gXJb
InChI InChI=1S/C18H18O4S/c1-3-7-14-10-15-17(22-12-21-15)18(16(14)20-2)23(19)11-13-8-5-4-6-9-13/h3-6,8-10H,1,7,11-12H2,2H3
InChIKey RMTBQQOYGYVAAZ-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C18H18O4S
Exact Mass 330.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tZyKGKO5w6
Name 5-Methoxy-4-(benzylsulfinyl)-6-(2'-propenyl)-1,3-benzodioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4S
InChI InChI=1S/C18H18O4S/c1-3-7-14-10-15-17(22-12-21-15)18(16(14)20-2)23(19)11-13-8-5-4-6-9-13/h3-6,8-10H,1,7,11-12H2,2H3
InChIKey RMTBQQOYGYVAAZ-UHFFFAOYSA-N
Molecular Weight 330.398 g/mol
SMILES c1(S(Cc2ccccc2)=O)c2c(OCO2)cc(c1OC)CC=C
SPLASH splash10-000x-9042000000-60cf62081e7e45606e84
Source of Spectrum I-78-1353-24
Synonyms 6-Allyl-4-(benzylsulfinyl)-5-methoxy-1,3-benzodioxole 6-Allyl-5-methoxy-1,3-benzodioxol-4-yl benzyl sulfoxide 4-Benzylsulfinyl-5-methoxy-6-prop-2-enyl-1,3-benzodioxole 5-Methoxy-4-(phenylmethyl)sulfinyl-6-prop-2-enyl-1,3-benzodioxole
Wiley ID 812823