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3'-bromo-4',5'-dimethyl-2'-hydroxy-2-mercaptoacetophenone, 2-(4-morpholinecarbodithioate)
SpectraBase Compound ID 5H3KKdZSrFZ
InChI InChI=1S/C15H18BrNO3S2/c1-9-7-11(14(19)13(16)10(9)2)12(18)8-22-15(21)17-3-5-20-6-4-17/h7,19H,3-6,8H2,1-2H3
InChIKey ZZYDUAQOACWWHF-UHFFFAOYSA-N
Mol Weight 404.34 g/mol
Molecular Formula C15H18BrNO3S2
Exact Mass 402.991149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyKwY2jcxtQ
Name 3'-BROMO-4',5'-DIMETHYL-2'-HYDROXY-2-MERCAPTOACETOPHENONE,2-(4-MORPHOLINECARBODITHIOATE)
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 C15H18BrNO3S2
InChI InChI=1S/C15H18BrNO3S2/c1-9-7-11(14(19)13(16)10(9)2)12(18)8-22-15(21)17-3-5-20-6-4-17/h7,19H,3-6,8H2,1-2H3
InChIKey ZZYDUAQOACWWHF-UHFFFAOYSA-N
Melting Point 198-199C
Molecular Weight 404.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 3'-BROMO-4',5'-DIMETHYL-2'-HYDROXY-2-MERCAPTO-, 2-/4-MORPHOLINECARBODITHIOATE/ ACETOPHENONE, 3'-BROMO-4',5'-DIMETHYL-2'-HYDROXY-2-MERCAPTO-, 2-/4-MORPHOLINECARBODITHIOATE/