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ALPHA-TRIFLUOROMETHYL-ALPHA-[4-(O-METHYLCARBAMOYL)PHENYLTHIO]BENZYLISOCYANATE
SpectraBase Compound ID 84jC5TwgoNt
InChI InChI=1S/C17H13F3N2O3S/c1-25-15(24)22-13-7-9-14(10-8-13)26-16(21-11-23,17(18,19)20)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,24)
InChIKey UKBXPVAKKIQFDP-UHFFFAOYSA-N
Mol Weight 382.36 g/mol
Molecular Formula C17H13F3N2O3S
Exact Mass 382.059898 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FU3ZD4Gf944
Name ALPHA-TRIFLUOROMETHYL-ALPHA-[4-(O-METHYLCARBAMOYL)PHENYLTHIO]BENZYLISOCYANATE
Comments SCALE INVERTED;WP-200 (BRUKER)
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Formula C17H13F3N2O3S
InChI InChI=1S/C17H13F3N2O3S/c1-25-15(24)22-13-7-9-14(10-8-13)26-16(21-11-23,17(18,19)20)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,24)
InChIKey UKBXPVAKKIQFDP-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference M.V.VOVK, V.I.DOROKHOV, L.I.SAMARAI (1988) Zhurn.Org.Khim.(Russ. Lang.): v.24,N4, 727-732.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d