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3-[2-(1,3-Dioxolanyl)ethyl]-2-[2'-(2-mesyloxy)ethyl)-4',5'-(methylenedioxy)phenyl]-2-cyclopenten-1-one
SpectraBase Compound ID DFu0SJqVH6K
InChI InChI=1S/C20H24O8S/c1-29(22,23)28-7-6-14-10-17-18(27-12-26-17)11-15(14)20-13(2-4-16(20)21)3-5-19-24-8-9-25-19/h10-11,19H,2-9,12H2,1H3
InChIKey IQDPKTMCPOAOFK-UHFFFAOYSA-N
Mol Weight 424.46 g/mol
Molecular Formula C20H24O8S
Exact Mass 424.119189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9O4RwTCIkxk
Name 3-[2-(1,3-Dioxolanyl)ethyl]-2-[2'-(2-mesyloxy)ethyl)-4',5'-(methylenedioxy)phenyl]-2-cyclopenten-1-one
Alternate Name(s) 2-(6-{2-[2-(1,3-dioxolan-2-yl)ethyl]-5-oxo-1-cyclopenten-1-yl}-1,3-benzodioxol-5-yl)ethyl methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O8S
InChI InChI=1S/C20H24O8S/c1-29(22,23)28-7-6-14-10-17-18(27-12-26-17)11-15(14)20-13(2-4-16(20)21)3-5-19-24-8-9-25-19/h10-11,19H,2-9,12H2,1H3
InChIKey IQDPKTMCPOAOFK-UHFFFAOYSA-N
Molecular Weight 424.464 g/mol
SMILES c1(C2=C(CCC2=O)CCC2OCCO2)cc2OCOc2cc1CCOS(=O)(=O)C
SPLASH splash10-004r-0593000000-4b6ba2f70e4f9748c271
Source of Spectrum J-61-7345-33
Wiley ID 1379180