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N-{2,6-dimethyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-4-nitrobenzamide
SpectraBase Compound ID 5MzxZkJ5PKQ
InChI InChI=1S/C18H14F6N2O4/c1-9-7-12(16(28,17(19,20)21)18(22,23)24)8-10(2)14(9)25-15(27)11-3-5-13(6-4-11)26(29)30/h3-8,28H,1-2H3,(H,25,27)
InChIKey VQORHCUXRUQDRS-UHFFFAOYSA-N
Mol Weight 436.31 g/mol
Molecular Formula C18H14F6N2O4
Exact Mass 436.085776 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 31oIYPfVRSV
Name N-{2,6-dimethyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-4-nitrobenzamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.085775913 u
Formula C18H14F6N2O4
InChI InChI=1S/C18H14F6N2O4/c1-9-7-12(16(28,17(19,20)21)18(22,23)24)8-10(2)14(9)25-15(27)11-3-5-13(6-4-11)26(29)30/h3-8,28H,1-2H3,(H,25,27)
InChIKey VQORHCUXRUQDRS-UHFFFAOYSA-N
Molecular Weight 436.310 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8685
Solvent DMSO-d6
Source Vendor ID: NMR/11310704; Lab Info: DYA; Lab Number: DYA-0000021