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S-[3-(4-Bromophenyl)-1-methylthio-3-oxopropenyl]-S,S-dimethylsulfinylinium perchlorate
SpectraBase Compound ID 3l3ekK1iNTN
InChI InChI=1S/C12H14BrOS2.ClHO4/c1-15-12(16(2)3)8-11(14)9-4-6-10(13)7-5-9;2-1(3,4)5/h4-8H,1-3H3;(H,2,3,4,5)/q+1;/p-1/b12-8+;
InChIKey YOHDTQNDSBHXNO-MXZHIVQLSA-M
Mol Weight 417.72 g/mol
Molecular Formula C12H14BrClO5S2
Exact Mass 415.915457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62oW21I4imQ
Name S-[3-(4-Bromophenyl)-1-methylthio-3-oxopropenyl]-S,S-dimethylsulfinylinium perchlorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrClO5S2
InChI InChI=1S/C12H14BrOS2.ClHO4/c1-15-12(16(2)3)8-11(14)9-4-6-10(13)7-5-9;2-1(3,4)5/h4-8H,1-3H3;(H,2,3,4,5)/q+1;/p-1/b12-8+;
InChIKey YOHDTQNDSBHXNO-MXZHIVQLSA-M
Molecular Weight 417.716 g/mol
SMILES C[S+](\C(=C\C(c1ccc(cc1)Br)=O)SC)C.[Cl]([O-])(=O)(=O)=O
SPLASH splash10-0019-0900000000-2d454f0614d0b9979b2f
Source of Spectrum SO-0-208-5
Wiley ID 1537663