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ALPHA-TRIFLUOROMETHYL-ALPHA-[4-(O-METHYLCARBAMOYL)PHENYLTHIO]-PARA-METHYLBENZYLISOCYANATE
SpectraBase Compound ID 24gnRyIJBG9
InChI InChI=1S/C18H15F3N2O3S/c1-12-3-5-13(6-4-12)17(22-11-24,18(19,20)21)27-15-9-7-14(8-10-15)23-16(25)26-2/h3-10H,1-2H3,(H,23,25)
InChIKey RTEPZYRHBBJKDL-UHFFFAOYSA-N
Mol Weight 396.38 g/mol
Molecular Formula C18H15F3N2O3S
Exact Mass 396.075548 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43xHJf67Yi9
Name ALPHA-TRIFLUOROMETHYL-ALPHA-[4-(O-METHYLCARBAMOYL)PHENYLTHIO]-PARA-METHYLBENZYLISOCYANATE
Comments SCALE INVERTED;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H15F3N2O3S
InChI InChI=1S/C18H15F3N2O3S/c1-12-3-5-13(6-4-12)17(22-11-24,18(19,20)21)27-15-9-7-14(8-10-15)23-16(25)26-2/h3-10H,1-2H3,(H,23,25)
InChIKey RTEPZYRHBBJKDL-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