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1-FORMYLMETHYL-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
SpectraBase Compound ID 5znWtEtJSvB
InChI InChI=1S/C11H5F9O7S3/c12-9(13,14)28(22,23)5-3-7(29(24,25)10(15,16)17)6(1-2-21)8(4-5)30(26,27)11(18,19)20/h2-4H,1H2
InChIKey PDNPTPSJZIUNDX-UHFFFAOYSA-N
Mol Weight 516.32 g/mol
Molecular Formula C11H5F9O7S3
Exact Mass 515.905369 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aABCEwNnJg
Name 1-FORMYLMETHYL-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
Comments SCALE INVERTED
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Formula C11H5F9O7S3
InChI InChI=1S/C11H5F9O7S3/c12-9(13,14)28(22,23)5-3-7(29(24,25)10(15,16)17)6(1-2-21)8(4-5)30(26,27)11(18,19)20/h2-4H,1H2
InChIKey PDNPTPSJZIUNDX-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference N.V.IGNAT'EV, V.N.BOIKO, L.M.YAGUPOL'SKY (1980) Zhurn.Org.Khim.(Russ. Lang.):v.16, N7, 1501-1508.
NMR Standard C6H5CF3
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3H6O acetone