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BRSFTQPZRULLOS-JLIMGVALSA-N
SpectraBase Compound ID 2av1mRbKMZm
InChI InChI=1S/C14H5F12N3S/c15-11(16,17)7-8(12(18,19)20,29(28-27-7)6-4-2-1-3-5-6)10(14(24,25)26)9(7,30-10)13(21,22)23/h1-5H/t7-,8+,9+,10-/m0/s1
InChIKey BRSFTQPZRULLOS-JLIMGVALSA-N
Mol Weight 475.26 g/mol
Molecular Formula C14H5F12N3S
Exact Mass 475.001256 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1z5bzg2t0LQ
Name BRSFTQPZRULLOS-JLIMGVALSA-N
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H5F12N3S
InChI InChI=1S/C14H5F12N3S/c15-11(16,17)7-8(12(18,19)20,29(28-27-7)6-4-2-1-3-5-6)10(14(24,25)26)9(7,30-10)13(21,22)23/h1-5H/t7-,8+,9+,10-/m0/s1
InChIKey BRSFTQPZRULLOS-JLIMGVALSA-N
Literature Reference Author Y.KOBAHASHI,I.KUMADAKI,A.OHSAWA,A.ANDO
Literature Reference Citation J.AM.CHEM.SOC.,99,7350(1977)
Literature Reference DOI 10.1021/ja00464a040
Solvent CDCl3
Source File Reference UWPS1832