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6-bromo-3-butyl-7-hydroxy-8-(2-mercaptopropionyl)-4-methyl-coumarin-8-(1-piperidinecarbodithioate)
SpectraBase Compound ID CilSPNWMe4S
InChI InChI=1S/C23H28BrNO4S2/c1-4-5-9-15-13(2)16-12-17(24)20(27)18(21(16)29-22(15)28)19(26)14(3)31-23(30)25-10-7-6-8-11-25/h12,14,27H,4-11H2,1-3H3
InChIKey UEEQHMXPHJQZOU-UHFFFAOYSA-N
Mol Weight 526.5 g/mol
Molecular Formula C23H28BrNO4S2
Exact Mass 525.064314 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DOsSn3JtBnu
Name 6-BROMO-3-BUTYL-7-HYDROXY-8-(2-MERCAPTOPROPIONYL)-4-METHYLCOUMARIN, 8-(1-PIPERIDINECARBODITHIOATE)
Source of Sample A. Cascaval, Polytechnic Institute of Iassy, Iasi, Romania
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28BrNO4S2
InChI InChI=1S/C23H28BrNO4S2/c1-4-5-9-15-13(2)16-12-17(24)20(27)18(21(16)29-22(15)28)19(26)14(3)31-23(30)25-10-7-6-8-11-25/h12,14,27H,4-11H2,1-3H3
InChIKey UEEQHMXPHJQZOU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 171-172C
Molecular Weight 526.52
Solvent CDCl3; Reference=TMS; Temperature 297K