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1-CARBOXYMETHYL-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
SpectraBase Compound ID 2Wq22V15muT
InChI InChI=1S/C11H5F9O8S3/c12-9(13,14)29(23,24)4-1-6(30(25,26)10(15,16)17)5(3-8(21)22)7(2-4)31(27,28)11(18,19)20/h1-2H,3H2,(H,21,22)
InChIKey ZXIYFFBEALSZJQ-UHFFFAOYSA-N
Mol Weight 532.32 g/mol
Molecular Formula C11H5F9O8S3
Exact Mass 531.900284 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zdwI4QV3ua
Name 1-CARBOXYMETHYL-2,4,6-TRIFLUOROMETHYLSULPHONYLBENZENE
Comments SCALE INVERTED
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Formula C11H5F9O8S3
InChI InChI=1S/C11H5F9O8S3/c12-9(13,14)29(23,24)4-1-6(30(25,26)10(15,16)17)5(3-8(21)22)7(2-4)31(27,28)11(18,19)20/h1-2H,3H2,(H,21,22)
InChIKey ZXIYFFBEALSZJQ-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 C2H4O2 acetic acid