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2-(ALPHA-CARBMETHOXY-ALPHA-TRIFLUOROACETAMIDOTRIFLUOROETHYL)-3-METHYL-4-PHENYLTHIOPHENE
SpectraBase Compound ID J2VpGtHd6n7
InChI InChI=1S/C17H13F6NO3S/c1-9-11(10-6-4-3-5-7-10)8-28-12(9)15(14(26)27-2,17(21,22)23)24-13(25)16(18,19)20/h3-8H,1-2H3,(H,24,25)
InChIKey CQFCMKOOSGDUSF-UHFFFAOYSA-N
Mol Weight 425.35 g/mol
Molecular Formula C17H13F6NO3S
Exact Mass 425.052033 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62HrIYTSduy
Name 2-(ALPHA-CARBMETHOXY-ALPHA-TRIFLUOROACETAMIDOTRIFLUOROETHYL)-3-METHYL-4-PHENYLTHIOPHENE
Comments ALL PEAKS WERE ASSIGNED (S.T.). SCALE INVERTED;WP-200SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H13F6NO3S
InChI InChI=1S/C17H13F6NO3S/c1-9-11(10-6-4-3-5-7-10)8-28-12(9)15(14(26)27-2,17(21,22)23)24-13(25)16(18,19)20/h3-8H,1-2H3,(H,24,25)
InChIKey CQFCMKOOSGDUSF-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference S.N.OSIPOV, N.D.CHKANIKOV, YU.V.SHKLYAEV, A.F.KOLOMIETS, A.V.FOKIN (1989)Izv.Akad.Nauk SSSR(Russ. Lang.): N9, 2131-2134.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported