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3',5'-dibromo-2'-hydroxy-2-mercapto-4'-methylacetophenone, 2-(1-piperidinecarbodithioate
SpectraBase Compound ID IZ45FBSSXJ8
InChI InChI=1S/C15H17Br2NO2S2/c1-9-11(16)7-10(14(20)13(9)17)12(19)8-22-15(21)18-5-3-2-4-6-18/h7,20H,2-6,8H2,1H3
InChIKey QXDPJRMRFDLKGH-UHFFFAOYSA-N
Mol Weight 467.23 g/mol
Molecular Formula C15H17Br2NO2S2
Exact Mass 464.906747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hMSpttTq12
Name 3',5'-DIBROMO-2'-HYDROXY-2-MERCAPTO-4'-METHYLACETOPHENONE,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 C15H17Br2NO2S2
InChI InChI=1S/C15H17Br2NO2S2/c1-9-11(16)7-10(14(20)13(9)17)12(19)8-22-15(21)18-5-3-2-4-6-18/h7,20H,2-6,8H2,1H3
InChIKey QXDPJRMRFDLKGH-UHFFFAOYSA-N
Melting Point 181-182C
Molecular Weight 467.25
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 3',5'-DIBROMO- 2'-HYDROXY-2-MERCAPTO-4'-METHYL-, 2-/1-PIPERIDINECARBODITHIOATE/ ACETOPHENONE, 3',5'-DIBROMO- 2'-HYDROXY-2-MERCAPTO-4'-METHYL-, 2-/1-PIPERIDINECARBODITHIOATE/