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1-TRIFLUOROMETHYL-2,2-DIFLUORO-2-PHENYLTHIOETHYLBENZOATE
SpectraBase Compound ID 9mu4pc2IO6A
InChI InChI=1S/C16H11F5O2S/c17-15(18,19)14(23-13(22)11-7-3-1-4-8-11)16(20,21)24-12-9-5-2-6-10-12/h1-10,14H
InChIKey AFOYJZJKVVUPPC-UHFFFAOYSA-N
Mol Weight 362.31 g/mol
Molecular Formula C16H11F5O2S
Exact Mass 362.039992 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fKgwcTPowu
Name 1-TRIFLUOROMETHYL-2,2-DIFLUORO-2-PHENYLTHIOETHYLBENZOATE
Comments SCALE INVERTED, -3.4PPM CENTER OF AB SYSTEM;H-60 (HITACHI)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H11F5O2S
InChI InChI=1S/C16H11F5O2S/c17-15(18,19)14(23-13(22)11-7-3-1-4-8-11)16(20,21)24-12-9-5-2-6-10-12/h1-10,14H
InChIKey AFOYJZJKVVUPPC-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference R.A.BEKKER, G.G.MELIKYAN, B.L.DYATKIN, I.L.KNUNYANTS (1975)Zhurn.Org.Khim.(Russ. Lang.): v.11, N8, 1600-1604.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported