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6-MORPHOLINO-5-ALLYL-2-PARA-TOLYL-2-TRIFLUOROMETHYL-2H-1,3,5-THIADIAZIN-5-IO-4-OLATE
SpectraBase Compound ID KQeXW1g1WKq
InChI InChI=1S/C18H20F3N3O2S/c1-3-8-24-15(25)22-17(18(19,20)21,14-6-4-13(2)5-7-14)27-16(24)23-9-11-26-12-10-23/h3-7H,1,8-12H2,2H3
InChIKey LHCLUNXZOYCKCU-UHFFFAOYSA-N
Mol Weight 399.43 g/mol
Molecular Formula C18H20F3N3O2S
Exact Mass 399.122833 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NhkuZmzopi
Name 6-MORPHOLINO-5-ALLYL-2-PARA-TOLYL-2-TRIFLUOROMETHYL-2H-1,3,5-THIADIAZIN-5-IO-4-OLATE
Comments SCALE INVERTED. IN (CD3)2CO: DELTA(F)=-68.73;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20F3N3O2S
InChI InChI=1S/C18H20F3N3O2S/c1-3-8-24-15(25)22-17(18(19,20)21,14-6-4-13(2)5-7-14)27-16(24)23-9-11-26-12-10-23/h3-7H,1,8-12H2,2H3
InChIKey LHCLUNXZOYCKCU-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