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1,4-BIS(METHOXYCARBONYLMETHYLTHIO)-2-TRIFLUOROMETHYL-5-NITROBENZENE
SpectraBase Compound ID BKg798FCbzN
InChI InChI=1S/C13H12F3NO6S2/c1-22-11(18)5-24-9-4-8(17(20)21)10(25-6-12(19)23-2)3-7(9)13(14,15)16/h3-4H,5-6H2,1-2H3
InChIKey KKJSUMRRJPHHDY-UHFFFAOYSA-N
Mol Weight 399.36 g/mol
Molecular Formula C13H12F3NO6S2
Exact Mass 399.005814 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7AGl9XNT9uy
Name 1,4-BIS(METHOXYCARBONYLMETHYLTHIO)-2-TRIFLUOROMETHYL-5-NITROBENZENE
Comments THE SOLVENT IS CDCL3 OR DMSO-D6. SCALE INVERTED. NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12F3NO6S2
InChI InChI=1S/C13H12F3NO6S2/c1-22-11(18)5-24-9-4-8(17(20)21)10(25-6-12(19)23-2)3-7(9)13(14,15)16/h3-4H,5-6H2,1-2H3
InChIKey KKJSUMRRJPHHDY-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference CHING-SUNG CHI, MEI-JEN CHEN, SHI-QUIN LIANG, DE-HUA CHEN (1988) J.Fluor.Chem.:v.38, N3, 327-334.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported