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6-(4-BROMO-alpha,alpha,alpha-TRIFLUORO-o-TOLYL)-1-CYCLOHEXYL-2-THIOBIUREA

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6-(4-BROMO-alpha,alpha,alpha-TRIFLUORO-o-TOLYL)-1-CYCLOHEXYL-2-THIOBIUREA
SpectraBase Compound ID CRuZjTL543F
InChI InChI=1S/C15H18BrF3N4OS/c16-9-6-7-12(11(8-9)15(17,18)19)21-13(24)22-23-14(25)20-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,20,23,25)(H2,21,22,24)
InChIKey JDIZQDWCDBIBEG-UHFFFAOYSA-N
Mol Weight 439.3 g/mol
Molecular Formula C15H18BrF3N4OS
Exact Mass 438.03368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7fvVADNE3L1
Name 6-(4-BROMO-alpha,alpha,alpha-TRIFLUORO-o-TOLYL)-1-CYCLOHEXYL-2-THIOBIUREA
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18BrF3N4OS
InChI InChI=1S/C15H18BrF3N4OS/c16-9-6-7-12(11(8-9)15(17,18)19)21-13(24)22-23-14(25)20-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,20,23,25)(H2,21,22,24)
InChIKey JDIZQDWCDBIBEG-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 439.31
Solvent DMSO-d6; Reference=TMS; Temperature 297K