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3-Amino-3-(2-chloro-5-trifluoromethyl-phenyl)-propionic acid

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

3-Amino-3-(2-chloro-5-trifluoromethyl-phenyl)-propionic acid
SpectraBase Compound ID 1167ZQ9WNek
InChI InChI=1S/C10H9ClF3NO2/c11-7-2-1-5(10(12,13)14)3-6(7)8(15)4-9(16)17/h1-3,8H,4,15H2,(H,16,17)
InChIKey OFJSQJAEIZPBQE-UHFFFAOYSA-N
Mol Weight 267.64 g/mol
Molecular Formula C10H9ClF3NO2
Exact Mass 267.027391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DYF7x6bTy4J
Name benzenepropanoic acid, beta-amino-2-chloro-5-(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.027390721 u
Formula C10H9ClF3NO2
InChI InChI=1S/C10H9ClF3NO2/c11-7-2-1-5(10(12,13)14)3-6(7)8(15)4-9(16)17/h1-3,8H,4,15H2,(H,16,17)
InChIKey OFJSQJAEIZPBQE-UHFFFAOYSA-N
Molecular Weight 267.635 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15692
Solvent DMSO-d6
Source Vendor ID: NMR/11210614; Lab Info: KLD; Lab Number: KLD-MGU0016