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alanine, N-(2,5-dichlorophenyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester
SpectraBase Compound ID IqbbfR3PeeC
InChI InChI=1S/C14H15Cl2F3N2O4/c1-3-24-11(22)13(14(17,18)19,21-12(23)25-4-2)20-10-7-8(15)5-6-9(10)16/h5-7,20H,3-4H2,1-2H3,(H,21,23)
InChIKey DBRJXONNAKLFDG-UHFFFAOYSA-N
Mol Weight 403.19 g/mol
Molecular Formula C14H15Cl2F3N2O4
Exact Mass 402.036097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4W66jOYGWGA
Name alanine, N-(2,5-dichlorophenyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl 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 402.036096856 u
Formula C14H15Cl2F3N2O4
InChI InChI=1S/C14H15Cl2F3N2O4/c1-3-24-11(22)13(14(17,18)19,21-12(23)25-4-2)20-10-7-8(15)5-6-9(10)16/h5-7,20H,3-4H2,1-2H3,(H,21,23)
InChIKey DBRJXONNAKLFDG-UHFFFAOYSA-N
Molecular Weight 403.185 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7765
Solvent DMSO-d6
Source Vendor ID: NMR/10231165; Lab Info: AU; Lab Number: AU-EC01015
Temperature 23.85 °C