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alanine, 3,3,3-trifluoro-N-(2-fluorobenzoyl)-2-(2-pyridinylamino)-,methyl ester

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

alanine, 3,3,3-trifluoro-N-(2-fluorobenzoyl)-2-(2-pyridinylamino)-,methyl ester
SpectraBase Compound ID EXujcRF8jik
InChI InChI=1S/C16H13F4N3O3/c1-26-14(25)15(16(18,19)20,22-12-8-4-5-9-21-12)23-13(24)10-6-2-3-7-11(10)17/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKey GWSASPQVMVTSFR-UHFFFAOYSA-N
Mol Weight 371.29 g/mol
Molecular Formula C16H13F4N3O3
Exact Mass 371.089304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8RderyuxdXq
Name alanine, 3,3,3-trifluoro-N-(2-fluorobenzoyl)-2-(2-pyridinylamino)-,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 371.089303940 u
Formula C16H13F4N3O3
InChI InChI=1S/C16H13F4N3O3/c1-26-14(25)15(16(18,19)20,22-12-8-4-5-9-21-12)23-13(24)10-6-2-3-7-11(10)17/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKey GWSASPQVMVTSFR-UHFFFAOYSA-N
Molecular Weight 371.292 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15093
Solvent DMSO-d6
Source Vendor ID: NMR/10321945; Lab Info: AU; Lab Number: AU-Z000637