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alanine, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester

View entire compound with spectra: 1 NMR

alanine, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester
SpectraBase Compound ID GboOyooP9UV
InChI InChI=1S/C19H23F3N4O5/c1-5-30-16(28)18(19(20,21)22,24-17(29)31-6-2)23-14-12(3)25(4)26(15(14)27)13-10-8-7-9-11-13/h7-11,23H,5-6H2,1-4H3,(H,24,29)
InChIKey LHWPVJUBWUGDIE-UHFFFAOYSA-N
Mol Weight 444.41 g/mol
Molecular Formula C19H23F3N4O5
Exact Mass 444.162054 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EEWc3KqiFE2
Name alanine, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-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 444.162054341 u
Formula C19H23F3N4O5
InChI InChI=1S/C19H23F3N4O5/c1-5-30-16(28)18(19(20,21)22,24-17(29)31-6-2)23-14-12(3)25(4)26(15(14)27)13-10-8-7-9-11-13/h7-11,23H,5-6H2,1-4H3,(H,24,29)
InChIKey LHWPVJUBWUGDIE-UHFFFAOYSA-N
Molecular Weight 444.411 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12028
Solvent DMSO-d6
Source Vendor ID: NMR/10271805; Lab Info: AU; Lab Number: AU-EC01077