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PSHQERRDDQSZMB-UHFFFAOYSA-N
SpectraBase Compound ID 9AqIre7bg8m
InChI InChI=1S/C12H9F3N6O6S/c1-2-27-9(22)5-3-6(20(23)24)8(7(4-5)21(25)26)17-18-11-16-10(19-28-11)12(13,14)15/h3-4,17H,2H2,1H3,(H,16,18,19)
InChIKey PSHQERRDDQSZMB-UHFFFAOYSA-N
Mol Weight 422.3 g/mol
Molecular Formula C12H9F3N6O6S
Exact Mass 422.025638 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDQy7MDSrTA
Name PSHQERRDDQSZMB-UHFFFAOYSA-N
Compound Number 765
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9F3N6O6S
InChI InChI=1S/C12H9F3N6O6S/c1-2-27-9(22)5-3-6(20(23)24)8(7(4-5)21(25)26)17-18-11-16-10(19-28-11)12(13,14)15/h3-4,17H,2H2,1H3,(H,16,18,19)
InChIKey PSHQERRDDQSZMB-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Solvent CDCl3
Source File Reference WRPR1776