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6-bromo-3-butyl-7-hydroxy-8-(2-mercaptopropionyl)-4-methylcoumarin, 8-(diethyldithiocarbamate)
SpectraBase Compound ID IAR1iMmGBqF
InChI InChI=1S/C22H28BrNO4S2/c1-6-9-10-14-12(4)15-11-16(23)19(26)17(20(15)28-21(14)27)18(25)13(5)30-22(29)24(7-2)8-3/h11,13,26H,6-10H2,1-5H3
InChIKey RHCQQNNVJNQHKG-UHFFFAOYSA-N
Mol Weight 514.49 g/mol
Molecular Formula C22H28BrNO4S2
Exact Mass 513.064314 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LCro4M0Vk3p
Name 6-BROMO-3-BUTYL-7-HYDROXY-8-(2-MERCAPTOPROPIONYL)-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 C22H28BrNO4S2
InChI InChI=1S/C22H28BrNO4S2/c1-6-9-10-14-12(4)15-11-16(23)19(26)17(20(15)28-21(14)27)18(25)13(5)30-22(29)24(7-2)8-3/h11,13,26H,6-10H2,1-5H3
InChIKey RHCQQNNVJNQHKG-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 161-162C
Molecular Weight 514.51
Solvent CDCl3; Reference=TMS; Temperature 297K