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2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylic acid, 7-chloro-4-(4-methoxyphenyl)-2-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID E23v0vKoFWS
InChI InChI=1S/C17H13ClF3N3O3/c1-26-12-6-3-10(4-7-12)14-23-16(15(25)27-2,17(19,20)21)22-13-8-5-11(18)9-24(13)14/h3-9H,1-2H3
InChIKey CRUOIXXLXLJJSQ-UHFFFAOYSA-N
Mol Weight 399.76 g/mol
Molecular Formula C17H13ClF3N3O3
Exact Mass 399.059753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Huc8T0nikV
Name 2H-pyrido[1,2-a][1,3,5]triazine-2-carboxylic acid, 7-chloro-4-(4-methoxyphenyl)-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 399.059753477 u
Formula C17H13ClF3N3O3
InChI InChI=1S/C17H13ClF3N3O3/c1-26-12-6-3-10(4-7-12)14-23-16(15(25)27-2,17(19,20)21)22-13-8-5-11(18)9-24(13)14/h3-9H,1-2H3
InChIKey CRUOIXXLXLJJSQ-UHFFFAOYSA-N
Molecular Weight 399.757 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13072
Solvent DMSO-d6
Source Vendor ID: NMR/10301057; Lab Info: AU; Lab Number: AU-Z000498