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3'-bromo-4',5'-dimethyl-2'-hydroxy-2-mercaptoacetophenone, 2-(1-piperidinecarbodithioate)
SpectraBase Compound ID 3ZcWD98Ro4U
InChI InChI=1S/C16H20BrNO2S2/c1-10-8-12(15(20)14(17)11(10)2)13(19)9-22-16(21)18-6-4-3-5-7-18/h8,20H,3-7,9H2,1-2H3
InChIKey PGDRKEKQMUJSAW-UHFFFAOYSA-N
Mol Weight 402.37 g/mol
Molecular Formula C16H20BrNO2S2
Exact Mass 401.011884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2StvZDc5wIS
Name 3'-BROMO-4',5'-DIMETHYL-2'-HYDROXY-2-MERCAPTOACETOPHENONE,2-(1-PIPERIDINECARBODITHIOATE)
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 C16H20BrNO2S2
InChI InChI=1S/C16H20BrNO2S2/c1-10-8-12(15(20)14(17)11(10)2)13(19)9-22-16(21)18-6-4-3-5-7-18/h8,20H,3-7,9H2,1-2H3
InChIKey PGDRKEKQMUJSAW-UHFFFAOYSA-N
Melting Point 174-175C
Molecular Weight 402.38
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 3'-BROMO-4',5'-DIMETHYL-2'-HYDROXY-2-MERCAPTO-, 2-/1-PIPERIDINECARBODITHIOATE/ ACETOPHENONE, 3'-BROMO-4',5'-DIMETHYL-2'-HYDROXY-2-MERCAPTO-, 2-/1-PIPERIDINECARBODITHIOATE/