Debug Info

object
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_id
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770MU9HqvlL
spectrumID
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770MU9HqvlL
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analyticalTechnique
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19F NMR
analyticalTechniqueLongName
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19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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(4-MEOC6H4)-N-[[3,5-[CF3-(2)]-C6H3]-(2)]
SpectraBase Compound ID 8waIjtwYa6w
InChI InChI=1S/C23H13F12NO/c1-37-19-4-2-16(3-5-19)36(17-8-12(20(24,25)26)6-13(9-17)21(27,28)29)18-10-14(22(30,31)32)7-15(11-18)23(33,34)35/h2-11H,1H3
InChIKey DJJFVFDXGFACGS-UHFFFAOYSA-N
Mol Weight 547.34 g/mol
Molecular Formula C23H13F12NO
Exact Mass 547.080552 g/mol
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19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 770MU9HqvlL
Name (4-MEOC6H4)-N-[[3,5-[CF3-(2)]-C6H3]-(2)]
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H13F12NO
InChI InChI=1S/C23H13F12NO/c1-37-19-4-2-16(3-5-19)36(17-8-12(20(24,25)26)6-13(9-17)21(27,28)29)18-10-14(22(30,31)32)7-15(11-18)23(33,34)35/h2-11H,1H3
InChIKey DJJFVFDXGFACGS-UHFFFAOYSA-N
Literature Reference Author M.YAMASHITA,J.F.HARTWIG
Literature Reference Citation J.AM.CHEM.SOC.,126,5344(2004)
Literature Reference DOI 10.1021/ja0315107
Solvent CDCl3
Source File Reference UWVN32013
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