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alanine, N-acetyl-3,3,3-trifluoro-2-[(4-methyl-2-pyridinyl)amino]-,methyl ester
SpectraBase Compound ID 4p0tjMp6QiT
InChI InChI=1S/C12H14F3N3O3/c1-7-4-5-16-9(6-7)18-11(10(20)21-3,12(13,14)15)17-8(2)19/h4-6H,1-3H3,(H,16,18)(H,17,19)
InChIKey FNBVUYYYLITJNE-UHFFFAOYSA-N
Mol Weight 305.26 g/mol
Molecular Formula C12H14F3N3O3
Exact Mass 305.098726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8XHd4xMRLrO
Name alanine, N-acetyl-3,3,3-trifluoro-2-[(4-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 305.098725809 u
Formula C12H14F3N3O3
InChI InChI=1S/C12H14F3N3O3/c1-7-4-5-16-9(6-7)18-11(10(20)21-3,12(13,14)15)17-8(2)19/h4-6H,1-3H3,(H,16,18)(H,17,19)
InChIKey FNBVUYYYLITJNE-UHFFFAOYSA-N
Molecular Weight 305.257 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13052
Solvent DMSO-d6
Source Vendor ID: NMR/10301018; Lab Info: AU; Lab Number: AU-FC01098