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SULPHORHODAMINE C, 2-FLUOROANHYDRIDE
SpectraBase Compound ID 1ZwW8hkuP1V
InChI InChI=1S/C27H29FN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(38(33,34)35)17-26(23)37(28,31)32/h9-17H,5-8H2,1-4H3
InChIKey OVVHIVNJSALABS-UHFFFAOYSA-N
Mol Weight 560.66 g/mol
Molecular Formula C27H29FN2O6S2
Exact Mass 560.145107 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPqf2l8stKm
Name 4'-SULPHO-2'-FLUOROSULPHONYLRHODAMINE C
Comments C=0.1M. STANDARD - C6F6 (162.9 FROM CFCL3). SCALE INVERTED.
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Formula C27H29FN2O6S2
InChI InChI=1S/C27H29FN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(38(33,34)35)17-26(23)37(28,31)32/h9-17H,5-8H2,1-4H3
InChIKey OVVHIVNJSALABS-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference YU.S.RYABOKOBYLKO, N.V.ABROSIMOVA, I.A.KRASAVIN, G.M.ADAMOVA, B.N.PARUSNIKOV,I.L.PARBUZINA, V.A.INSHAKOVA (1983) Teor.Exper.Khim.(Russ. Lang.): v.19, N2,247-251.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo