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5'-bromo-2'-hydroxy-2-mercapto-4'-methylpropiophenone, 2-(dimethyldithiocarbamate)
SpectraBase Compound ID 7gMyvsahnll
InChI InChI=1S/C13H16BrNO2S2/c1-7-5-11(16)9(6-10(7)14)12(17)8(2)19-13(18)15(3)4/h5-6,8,16H,1-4H3
InChIKey PJJFURDHHLADNA-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 CvcCJpOecSO
Name 5'-BROMO-2'-HYDROXY-2-MERCAPTO-4'-METHYLPROPIOPHENONE,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/c1-7-5-11(16)9(6-10(7)14)12(17)8(2)19-13(18)15(3)4/h5-6,8,16H,1-4H3
InChIKey PJJFURDHHLADNA-UHFFFAOYSA-N
Melting Point 136-137C
Molecular Weight 362.32
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PROPIOPHENONE, 5'-BROMO-2'-HYDROXY- 2-MERCAPTO-4'-METHYL-, 2-/DIMETHYLDITHIOCARBAMATE/