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3'-bromo-4',5'-dimethyl-2'-hydroxy-2-mercaptoacetophenone, 2-(dimethyldithiocarbamate)
SpectraBase Compound ID 2m3NYPqdjex
InChI InChI=1S/C13H16BrNO2S2/c1-7-5-9(12(17)11(14)8(7)2)10(16)6-19-13(18)15(3)4/h5,17H,6H2,1-4H3
InChIKey MQENHVOSKKRLFZ-UHFFFAOYSA-N
Mol Weight 362.3 g/mol
Molecular Formula C13H16BrNO2S2
Exact Mass 360.980584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOG0mXKQJxo
Name 3'-BROMO-4',5'-DIMETHYL-2'-HYDROXY-2-MERCAPTOACETOPHENONE,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 C13H16BrNO2S2
InChI InChI=1S/C13H16BrNO2S2/c1-7-5-9(12(17)11(14)8(7)2)10(16)6-19-13(18)15(3)4/h5,17H,6H2,1-4H3
InChIKey MQENHVOSKKRLFZ-UHFFFAOYSA-N
Melting Point 200-201C
Molecular Weight 362.32
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 3'-BROMO-4',5'-DIMETHYL-2'-HYDROXY-2-MERCAPTO-, 2-/DIMETHYLDITHIOCARBAMATE/