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3',5'-dibromo-2'-hydroxy-2-mercapto-4'-methylacetophenone, 2-(dimethyldithiocarbamate)
SpectraBase Compound ID C8u1eeateM8
InChI InChI=1S/C12H13Br2NO2S2/c1-6-8(13)4-7(11(17)10(6)14)9(16)5-19-12(18)15(2)3/h4,17H,5H2,1-3H3
InChIKey WBQHGGVQOBKPHZ-UHFFFAOYSA-N
Mol Weight 427.17 g/mol
Molecular Formula C12H13Br2NO2S2
Exact Mass 424.875447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUcZrSyiNKa
Name 3',5'-DIBROMO-2'-HYDROXY-2-MERCAPTO-4'-METHYLACETOPHENONE,2-(DIMETHYLDITHIOCARBAMATE)
Source of Sample A. Cascaval, "Al. I. CUZA" University of Iassy, Iasi, Romania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13Br2NO2S2
InChI InChI=1S/C12H13Br2NO2S2/c1-6-8(13)4-7(11(17)10(6)14)9(16)5-19-12(18)15(2)3/h4,17H,5H2,1-3H3
InChIKey WBQHGGVQOBKPHZ-UHFFFAOYSA-N
Melting Point 193-194C (dec.)
Molecular Weight 427.19
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 3',5'-DIBROMO- 2'-HYDROXY-2-MERCAPTO-4'-METHYL-, 2-/DIMETHYLDITHIOCARBAMATE/