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N-(3-TRIFLUOROMETHYLADAMANTYL)-N'-TRIFLUOROMETHYLSULPHENYLUREA
SpectraBase Compound ID BRq3A0d9sDQ
InChI InChI=1S/C13H16F6N2OS/c14-12(15,16)10-2-7-1-8(3-10)5-11(4-7,6-10)20-9(22)21-23-13(17,18)19/h7-8H,1-6H2,(H2,20,21,22)/t7-,8+,10+,11-
InChIKey KEBBFZPIPFYVPJ-YDRMRZIKSA-N
Mol Weight 362.33 g/mol
Molecular Formula C13H16F6N2OS
Exact Mass 362.088753 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpR96U6XuxI
Name N-(3-TRIFLUOROMETHYLADAMANTYL)-N'-TRIFLUOROMETHYLSULPHENYLUREA
Comments MAY BE WP-250 (BRUKER). `+` AXIS-LOW FIELD (DIRECT INDICATION IN THE
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Formula C13H16F6N2OS
InChI InChI=1S/C13H16F6N2OS/c14-12(15,16)10-2-7-1-8(3-10)5-11(4-7,6-10)20-9(22)21-23-13(17,18)19/h7-8H,1-6H2,(H2,20,21,22)/t7-,8+,10+,11-
InChIKey KEBBFZPIPFYVPJ-YDRMRZIKSA-N
Instrument Name Bruker WP-80
Literature Reference R.FELDHOFF, A.HAAS, M.LIEB (1990) J.Fluor.Chem.: v.49, N2, 225-229.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d