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7,9-Dichloro-4-p-tolyl-2-trifluoromethyl-2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylic acid methyl ester
SpectraBase Compound ID JS6dqMFgpYo
InChI InChI=1S/C17H12Cl2F3N3O2/c1-9-3-5-10(6-4-9)13-23-16(15(26)27-2,17(20,21)22)24-14-12(19)7-11(18)8-25(13)14/h3-8H,1-2H3
InChIKey MJIAVSHGTMILMB-UHFFFAOYSA-N
Mol Weight 418.2 g/mol
Molecular Formula C17H12Cl2F3N3O2
Exact Mass 417.025867 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 99lqoSyqjPJ
Name 2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylic acid, 7,9-dichloro-4-(4-methylphenyl)-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 417.025866525 u
Formula C17H12Cl2F3N3O2
InChI InChI=1S/C17H12Cl2F3N3O2/c1-9-3-5-10(6-4-9)13-23-16(15(26)27-2,17(20,21)22)24-14-12(19)7-11(18)8-25(13)14/h3-8H,1-2H3
InChIKey MJIAVSHGTMILMB-UHFFFAOYSA-N
Molecular Weight 418.203 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6175
Solvent DMSO-d6
Source Vendor ID: NMR/11222369; Lab Info: AU; Lab Number: AU-P000271