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3-bromo-7-hydroxy-8-(mercaptoacetyl)-4-methylcoumarin, 8-(diethyldithiocarbamate)
SpectraBase Compound ID Cuop0d7mMjD
InChI InChI=1S/C17H18BrNO4S2/c1-4-19(5-2)17(24)25-8-12(21)13-11(20)7-6-10-9(3)14(18)16(22)23-15(10)13/h6-7,20H,4-5,8H2,1-3H3
InChIKey CGZNQLKXRUSGOX-UHFFFAOYSA-N
Mol Weight 444.36 g/mol
Molecular Formula C17H18BrNO4S2
Exact Mass 442.986063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5seC3fkszI2
Name 3-BROMO-7-HYDROXY-8-(MERCAPTOACETYL)-4-METHYLCOUMARIN, 8-(DIETHYLDITHIOCARBAMATE)
Source of Sample A. Cascaval, Polytechnic Institute of Iassy, Iasi, Romania
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18BrNO4S2
InChI InChI=1S/C17H18BrNO4S2/c1-4-19(5-2)17(24)25-8-12(21)13-11(20)7-6-10-9(3)14(18)16(22)23-15(10)13/h6-7,20H,4-5,8H2,1-3H3
InChIKey CGZNQLKXRUSGOX-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 189-190C
Molecular Weight 444.37
Solvent Polysol; Reference=TMS; Temperature 297K