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4-HYDROPERFLUOROBUTYRIC ACID, S-BENZYLTHIURONIC SALT
SpectraBase Compound ID 4pDENZfFDy1
InChI InChI=1S/C8H9NOS.C4H2F6O2/c9-8(10)11-6-7-4-2-1-3-5-7;5-1(6)3(7,8)4(9,10)2(11)12/h1-5H,6H2,(H2,9,10);1H,(H,11,12)
InChIKey YHYCLKQNCFVDRH-UHFFFAOYSA-N
Mol Weight 363.27 g/mol
Molecular Formula C12H11F6NO3S
Exact Mass 363.036383 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wQFn9NGhiq
Name 4-HYDROPERFLUOROBUTYRIC ACID, S-BENZYLTHIURONIC SALT
Comments SCALE INVERTED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H11F6NO3S
InChI InChI=1S/C8H9NOS.C4H2F6O2/c9-8(10)11-6-7-4-2-1-3-5-7;5-1(6)3(7,8)4(9,10)2(11)12/h1-5H,6H2,(H2,9,10);1H,(H,11,12)
InChIKey YHYCLKQNCFVDRH-UHFFFAOYSA-N
Instrument Name Varian A56/60A
Literature Reference K.V.DVORNIKOVA, V.E.PLATONOV, L.N.PUSHKINA, S.V.SOKOLOV, G.P.TATAUROV,G.G.YAKOBSON (1972) Zhurn.Org.Khim.(Russ. Lang.): v.8, N5, 1042-1046.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported