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TRIETHYLAMMONIUM 1-NITROMETHYL-2,4,6-TRIS(TRIFLUOROMETHYLSULPHONYL)-2,5-CYCLOHEXADIENOATE
SpectraBase Compound ID 1JdJycRcq6h
InChI InChI=1S/C10H5F9NO8S3.C6H15N/c11-8(12,13)29(23,24)4-1-6(30(25,26)9(14,15)16)5(3-20(21)22)7(2-4)31(27,28)10(17,18)19;1-4-7(5-2)6-3/h1-2,5H,3H2;4-6H2,1-3H3/q-1;/p+1
InChIKey KHHZACJJHSTRSG-UHFFFAOYSA-O
Mol Weight 636.52 g/mol
Molecular Formula C16H21F9N2O8S3
Exact Mass 636.031633 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID U8XKw7Ft3h
Name TRIETHYLAMMONIUM 1-NITROMETHYL-2,4,6-TRIS(TRIFLUOROMETHYLSULPHONYL)-2,5-CYCLOHEXADIENOATE
Comments SCALE INVERTED
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H21F9N2O8S3
InChI InChI=1S/C10H5F9NO8S3.C6H15N/c11-8(12,13)29(23,24)4-1-6(30(25,26)9(14,15)16)5(3-20(21)22)7(2-4)31(27,28)10(17,18)19;1-4-7(5-2)6-3/h1-2,5H,3H2;4-6H2,1-3H3/q-1;/p+1
InChIKey KHHZACJJHSTRSG-UHFFFAOYSA-O
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 C3D6O acetone-d6