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SODIUM 1-BIS(ETHOXYCARBONYL)METHYL-2,4,6-TRIS(TRIFLUOROMETHYLSULPHONYL)-2,5-CYCLOHEXADIENOATE
SpectraBase Compound ID Gg23qjiiIiI
InChI InChI=1S/C16H14F9O10S3.Na/c1-3-34-12(26)11(13(27)35-4-2)10-8(37(30,31)15(20,21)22)5-7(36(28,29)14(17,18)19)6-9(10)38(32,33)16(23,24)25;/h5-6,10-11H,3-4H2,1-2H3;/q-1;+1
InChIKey DMEUBSSIFSTELL-UHFFFAOYSA-N
Mol Weight 656.43 g/mol
Molecular Formula C16H14F9NaO10S3
Exact Mass 655.950308 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7s4xdMJmKpJ
Name SODIUM 1-BIS(ETHOXYCARBONYL)METHYL-2,4,6-TRIS(TRIFLUOROMETHYLSULPHONYL)-2,5-CYCLOHEXADIENOATE
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14F9NaO10S3
InChI InChI=1S/C16H14F9O10S3.Na/c1-3-34-12(26)11(13(27)35-4-2)10-8(37(30,31)15(20,21)22)5-7(36(28,29)14(17,18)19)6-9(10)38(32,33)16(23,24)25;/h5-6,10-11H,3-4H2,1-2H3;/q-1;+1
InChIKey DMEUBSSIFSTELL-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 C3D6O acetone-d6