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2-(PARA-FLUOROBENZOYL)-3-METHYL-4H-1,4-BENZOTHIAZIN-6-YLSULPHONIC ACID
SpectraBase Compound ID 31UDO0r7lPd
InChI InChI=1S/C16H12FNO4S2/c1-9-16(15(19)10-2-4-11(17)5-3-10)23-14-7-6-12(24(20,21)22)8-13(14)18-9/h2-8,18H,1H3,(H,20,21,22)
InChIKey VSTCPIGDFHSIJJ-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C16H12FNO4S2
Exact Mass 365.019178 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8Ovw2auts
Name 2-(PARA-FLUOROBENZOYL)-3-METHYL-4H-1,4-BENZOTHIAZIN-6-YLSULPHONIC ACID
Comments IT IS MENTIONED, THAT CHEMICAL SHIFTS ARE PRESENTED RELATIVE C6F6, BUT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H12FNO4S2
InChI InChI=1S/C16H12FNO4S2/c1-9-16(15(19)10-2-4-11(17)5-3-10)23-14-7-6-12(24(20,21)22)8-13(14)18-9/h2-8,18H,1H3,(H,20,21,22)
InChIKey VSTCPIGDFHSIJJ-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference R.R.GUPTA, A.THOMAS, R.K.GAUTAM, V.GUPTA (1989) J.Fluor.Chem.: v.44, N1, 1-14.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2H6SO dimethylsulfo