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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pG2nQh5cvf
Name 3'-bromo-4',5'-dimethyl-2'-hydroxy-2-mercaptoacetophenone, 2-(dimethyldithiocarbamate)
Copyright Copyright © 2009-2024 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
Instrument Name Varian CFT-20
Sadtler NMR Number 61358M
Solvent CDCl3