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7,9-Dichloro-4-(4-fluoro-phenyl)-2-trifluoromethyl-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylic acid methyl ester
SpectraBase Compound ID G7TpJS7gchj
InChI InChI=1S/C16H9Cl2F4N3O2/c1-27-14(26)15(16(20,21)22)23-12(8-2-4-10(19)5-3-8)25-7-9(17)6-11(18)13(25)24-15/h2-7H,1H3
InChIKey OPRPTDSXBHGNQI-UHFFFAOYSA-N
Mol Weight 422.17 g/mol
Molecular Formula C16H9Cl2F4N3O2
Exact Mass 421.000795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0ky8GB5OYH
Name 2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylic acid, 7,9-dichloro-4-(4-fluorophenyl)-2-(trifluoromethyl)-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.000794592 u
Formula C16H9Cl2F4N3O2
InChI InChI=1S/C16H9Cl2F4N3O2/c1-27-14(26)15(16(20,21)22)23-12(8-2-4-10(19)5-3-8)25-7-9(17)6-11(18)13(25)24-15/h2-7H,1H3
InChIKey OPRPTDSXBHGNQI-UHFFFAOYSA-N
Molecular Weight 422.167 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15118
Solvent DMSO-d6
Source Vendor ID: NMR/10321967; Lab Info: AU; Lab Number: AU-Z000704