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3-(Methylthio)-4-[(4'-methoxycarbonyl)phenyl]-3H-1,2-dithiolium iodide
SpectraBase Compound ID DmPzZDUlkpC
InChI InChI=1S/C12H11O2S3.HI/c1-14-11(13)9-5-3-8(4-6-9)10-7-16-17-12(10)15-2;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKey CYXBKYLEPBNVFZ-UHFFFAOYSA-M
Mol Weight 410.3 g/mol
Molecular Formula C12H11IO2S3
Exact Mass 409.896588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEqFpWibzbZ
Name 3-(Methylthio)-4-[(4'-methoxycarbonyl)phenyl]-3H-1,2-dithiolium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11IO2S3
InChI InChI=1S/C12H11O2S3.HI/c1-14-11(13)9-5-3-8(4-6-9)10-7-16-17-12(10)15-2;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKey CYXBKYLEPBNVFZ-UHFFFAOYSA-M
Molecular Weight 410.302 g/mol
SMILES [I-].C=1([C+](SSC1)SC)c1ccc(C(=O)OC)cc1
SPLASH splash10-014i-0390000000-f8e290eeed84c965a7d3
Source of Spectrum AC-132-632-2
Wiley ID 811891