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alanine, N-(2-chloro-3-methylphenyl)-3,3,3-trifluoro-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

alanine, N-(2-chloro-3-methylphenyl)-3,3,3-trifluoro-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester
SpectraBase Compound ID FV3rhzDS45p
InChI InChI=1S/C19H16ClF6N3O4/c1-10-4-3-5-13(14(10)20)28-17(15(30)32-2,18(21,22)23)29-16(31)27-11-6-8-12(9-7-11)33-19(24,25)26/h3-9,28H,1-2H3,(H2,27,29,31)
InChIKey GXTXXLGHRWRHOC-UHFFFAOYSA-N
Mol Weight 499.8 g/mol
Molecular Formula C19H16ClF6N3O4
Exact Mass 499.073353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9a7jp8eLBoS
Name alanine, N-(2-chloro-3-methylphenyl)-3,3,3-trifluoro-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]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 499.073352681 u
Formula C19H16ClF6N3O4
InChI InChI=1S/C19H16ClF6N3O4/c1-10-4-3-5-13(14(10)20)28-17(15(30)32-2,18(21,22)23)29-16(31)27-11-6-8-12(9-7-11)33-19(24,25)26/h3-9,28H,1-2H3,(H2,27,29,31)
InChIKey GXTXXLGHRWRHOC-UHFFFAOYSA-N
Molecular Weight 499.797 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18213
Solvent DMSO-d6
Source Vendor ID: NMR/11260297; Lab Info: AU; Lab Number: AU-01050007