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N-PHENYL-N-(PIPERIDINOTHIOCARBONYL)-N'-(1-PHENYL-1-PARA-TOLYLAMINO-2,2,2-TRIFLUOROETHYL)UREA
SpectraBase Compound ID FnFEWbrXXti
InChI InChI=1S/C28H29F3N4OS/c1-21-15-17-23(18-16-21)32-27(28(29,30)31,22-11-5-2-6-12-22)33-25(36)35(24-13-7-3-8-14-24)26(37)34-19-9-4-10-20-34/h2-3,5-8,11-18,32H,4,9-10,19-20H2,1H3,(H,33,36)
InChIKey GAGVGGKOYGQSQA-UHFFFAOYSA-N
Mol Weight 526.62 g/mol
Molecular Formula C28H29F3N4OS
Exact Mass 526.201417 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4AiFXsa60na
Name N-PHENYL-N-(PIPERIDINOTHIOCARBONYL)-N'-(1-PHENYL-1-PARA-TOLYLAMINO-2,2,2-TRIFLUOROETHYL)UREA
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C28H29F3N4OS
InChI InChI=1S/C28H29F3N4OS/c1-21-15-17-23(18-16-21)32-27(28(29,30)31,22-11-5-2-6-12-22)33-25(36)35(24-13-7-3-8-14-24)26(37)34-19-9-4-10-20-34/h2-3,5-8,11-18,32H,4,9-10,19-20H2,1H3,(H,33,36)
InChIKey GAGVGGKOYGQSQA-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, YU.N.DAVIDYUK, L.I.SAMARAI (1991) Ukrain.Khim.Zhurn.(Russ. Lang.):v.57, N12, 1316-1321.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6D6 benzene-d6