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3-bromo-7-hydroxy-8-(mercaptoacetyl)-4-methylcoumarin, 8-(dimethyldithiocarbamate)
SpectraBase Compound ID KYlqpCInOZY
InChI InChI=1S/C15H14BrNO4S2/c1-7-8-4-5-9(18)11(13(8)21-14(20)12(7)16)10(19)6-23-15(22)17(2)3/h4-5,18H,6H2,1-3H3
InChIKey KMMBUDFVFNISRU-UHFFFAOYSA-N
Mol Weight 416.3 g/mol
Molecular Formula C15H14BrNO4S2
Exact Mass 414.954763 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4fRlZEUMpaR
Name 3-BROMO-7-HYDROXY-8-(MERCAPTOACETYL)-4-METHYLCOUMARIN, 8-(DIMETHYLDITHIOCARBAMATE)
Source of Sample A. Cascaval, "Al. I. CUZA" University of Iassy, Iasi, Romania
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14BrNO4S2
InChI InChI=1S/C15H14BrNO4S2/c1-7-8-4-5-9(18)11(13(8)21-14(20)12(7)16)10(19)6-23-15(22)17(2)3/h4-5,18H,6H2,1-3H3
InChIKey KMMBUDFVFNISRU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 198-199C
Molecular Weight 416.32
Solvent DMSO-d6; Reference=TMS; Temperature 297K