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alanine, 3,3,3-trifluoro-N-(4-methylbenzoyl)-2-[(6-methyl-2-pyridinyl)amino]-, methyl ester
SpectraBase Compound ID FpUr037bTE8
InChI InChI=1S/C18H18F3N3O3/c1-11-7-9-13(10-8-11)15(25)24-17(16(26)27-3,18(19,20)21)23-14-6-4-5-12(2)22-14/h4-10H,1-3H3,(H,22,23)(H,24,25)
InChIKey VRBCRUSVNBXOFT-UHFFFAOYSA-N
Mol Weight 381.36 g/mol
Molecular Formula C18H18F3N3O3
Exact Mass 381.130026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AScXdH90tVK
Name alanine, 3,3,3-trifluoro-N-(4-methylbenzoyl)-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 381.130025938 u
Formula C18H18F3N3O3
InChI InChI=1S/C18H18F3N3O3/c1-11-7-9-13(10-8-11)15(25)24-17(16(26)27-3,18(19,20)21)23-14-6-4-5-12(2)22-14/h4-10H,1-3H3,(H,22,23)(H,24,25)
InChIKey VRBCRUSVNBXOFT-UHFFFAOYSA-N
Molecular Weight 381.355 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13065
Solvent DMSO-d6
Source Vendor ID: NMR/10301043; Lab Info: AU; Lab Number: AU-Z000464