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7-Bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)-2-pyrido[1,2-a][1,3,5]triazinecarboxylic acid methyl ester
SpectraBase Compound ID 4m5dU4Hrfpj
InChI InChI=1S/C16H10BrClF3N3O2/c1-26-14(25)15(16(19,20)21)22-12-6-5-10(17)8-24(12)13(23-15)9-3-2-4-11(18)7-9/h2-8H,1H3
InChIKey JCJCTWAKUSIFFV-UHFFFAOYSA-N
Mol Weight 448.63 g/mol
Molecular Formula C16H10BrClF3N3O2
Exact Mass 446.959702 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BXr6qYM4N1
Name 2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylic acid, 7-bromo-4-(3-chlorophenyl)-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 446.959701761 u
Formula C16H10BrClF3N3O2
InChI InChI=1S/C16H10BrClF3N3O2/c1-26-14(25)15(16(19,20)21)22-12-6-5-10(17)8-24(12)13(23-15)9-3-2-4-11(18)7-9/h2-8H,1H3
InChIKey JCJCTWAKUSIFFV-UHFFFAOYSA-N
Molecular Weight 448.627 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13071
Solvent DMSO-d6
Source Vendor ID: NMR/10301056; Lab Info: AU; Lab Number: AU-Z000497