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Trifluoromethyl-sulfinato-2,6-dinitro-anisole

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Trifluoromethyl-sulfinato-2,6-dinitro-anisole
SpectraBase Compound ID FShuHJgua7E
InChI InChI=1S/C8H5F3N2O7S/c1-20-7-5(12(14)15)2-4(3-6(7)13(16)17)21(18,19)8(9,10)11/h2-3H,1H3
InChIKey MXCDCJVMRWDUOH-UHFFFAOYSA-N
Mol Weight 330.19 g/mol
Molecular Formula C8H5F3N2O7S
Exact Mass 329.976956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XTzmuDCEqp
Name Trifluoromethyl-sulfinato-2,6-dinitro-anisole
CAS Registry Number 19822-29-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H5F3N2O7S
InChI InChI=1S/C8H5F3N2O7S/c1-20-7-5(12(14)15)2-4(3-6(7)13(16)17)21(18,19)8(9,10)11/h2-3H,1H3
InChIKey MXCDCJVMRWDUOH-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference M.P. Simonnin, J. Org. Chem. 43, 855 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6