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alanine, N-(cyclohexylmethyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester
SpectraBase Compound ID 7Lzczs1LB54
InChI InChI=1S/C15H25F3N2O4/c1-3-23-12(21)14(15(16,17)18,20-13(22)24-4-2)19-10-11-8-6-5-7-9-11/h11,19H,3-10H2,1-2H3,(H,20,22)
InChIKey VJIMDQMTYLUJFR-UHFFFAOYSA-N
Mol Weight 354.37 g/mol
Molecular Formula C15H25F3N2O4
Exact Mass 354.176642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G3tCqGwonS0
Name alanine, N-(cyclohexylmethyl)-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 354.176641778 u
Formula C15H25F3N2O4
InChI InChI=1S/C15H25F3N2O4/c1-3-23-12(21)14(15(16,17)18,20-13(22)24-4-2)19-10-11-8-6-5-7-9-11/h11,19H,3-10H2,1-2H3,(H,20,22)
InChIKey VJIMDQMTYLUJFR-UHFFFAOYSA-N
Molecular Weight 354.370 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8280
Solvent DMSO-d6
Source Vendor ID: NMR/9321625; Lab Info: AU; Lab Number: AU-EC00963
Temperature 29.85 °C