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S-[1-Phenyl-1-(3-morpholinylureido)-2,2,2-trifluoroethyl]-o-methyl(phenyl)isothiourethane

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S-[1-Phenyl-1-(3-morpholinylureido)-2,2,2-trifluoroethyl]-o-methyl(phenyl)isothiourethane
SpectraBase Compound ID EFDvR9Nxm8X
InChI InChI=1S/C21H22F3N3O3S/c1-29-19(25-17-10-6-3-7-11-17)31-20(21(22,23)24,16-8-4-2-5-9-16)26-18(28)27-12-14-30-15-13-27/h2-11H,12-15H2,1H3,(H,26,28)/b25-19+
InChIKey ODNOPMWDHNBOPM-NCELDCMTSA-N
Mol Weight 453.48 g/mol
Molecular Formula C21H22F3N3O3S
Exact Mass 453.133397 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4haOnrlv3yx
Name S-[1-PHENYL-1-(3-MORPHOLINYLUREIDO)-2,2,2-TRIFLUOROETHYL]-O-METHYL(PHENYL)ISOTHIOURETHANE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H22F3N3O3S
InChI InChI=1S/C21H22F3N3O3S/c1-29-19(25-17-10-6-3-7-11-17)31-20(21(22,23)24,16-8-4-2-5-9-16)26-18(28)27-12-14-30-15-13-27/h2-11H,12-15H2,1H3,(H,26,28)/b25-19+
InChIKey ODNOPMWDHNBOPM-NCELDCMTSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, YU.N.DAVIDYUK, A.N.CHERNEGA, I.F.TSYMBAL, L.I.SAMARAI (1992)Zhurn.Org.Khim.(Russ. Lang.): v.28, N10, 2042-2053.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6