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3-[bis( Methylthio)methylene]-4-iodo-3H-isobenzofuran-1-one
SpectraBase Compound ID 6hsdoLtoOtl
InChI InChI=1S/C11H9IO2S2/c1-15-11(16-2)9-8-6(10(13)14-9)4-3-5-7(8)12/h3-5H,1-2H3
InChIKey MGWBGWHNUNKMDU-UHFFFAOYSA-N
Mol Weight 364.22 g/mol
Molecular Formula C11H9IO2S2
Exact Mass 363.908867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQgOpFrQpTg
Name 3-[bis( Methylthio)methylene]-4-iodo-3H-isobenzofuran-1-one
Alternate Name(s) 3-[bis(methylsulfanyl)methylene]-4-iodo-2-benzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9IO2S2
InChI InChI=1S/C11H9IO2S2/c1-15-11(16-2)9-8-6(10(13)14-9)4-3-5-7(8)12/h3-5H,1-2H3
InChIKey MGWBGWHNUNKMDU-UHFFFAOYSA-N
Molecular Weight 364.215 g/mol
SMILES C1(OC(=O)c2c1c(I)ccc2)=C(SC)SC
SPLASH splash10-02t9-0009000000-21aea954da5ad9d8fe4c
Source of Spectrum AH-128-377-2
Wiley ID 1350448