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alanine, N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-[(6-methyl-2-pyridinyl)amino]-, methyl ester
SpectraBase Compound ID IGeTKKSZvbJ
InChI InChI=1S/C17H14Cl2F3N3O3/c1-9-4-3-5-13(23-9)24-16(15(27)28-2,17(20,21)22)25-14(26)11-7-6-10(18)8-12(11)19/h3-8H,1-2H3,(H,23,24)(H,25,26)
InChIKey MSMOACKMTDEWCR-UHFFFAOYSA-N
Mol Weight 436.22 g/mol
Molecular Formula C17H14Cl2F3N3O3
Exact Mass 435.036431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7MQdrkSB1pw
Name alanine, N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-[(6-methyl-2-pyridinyl)amino]-, 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 435.036431209 u
Formula C17H14Cl2F3N3O3
InChI InChI=1S/C17H14Cl2F3N3O3/c1-9-4-3-5-13(23-9)24-16(15(27)28-2,17(20,21)22)25-14(26)11-7-6-10(18)8-12(11)19/h3-8H,1-2H3,(H,23,24)(H,25,26)
InChIKey MSMOACKMTDEWCR-UHFFFAOYSA-N
Molecular Weight 436.218 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13049
Solvent DMSO-d6
Source Vendor ID: NMR/10301015; Lab Info: AU; Lab Number: AU-FC01091