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3-thiophenecarboxylic acid, 2-[[1-(benzoylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-methyl-5-phenyl-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 2-[[1-(benzoylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-methyl-5-phenyl-, ethyl ester
SpectraBase Compound ID JNbbJ1NcxRo
InChI InChI=1S/C25H23F3N2O5S/c1-4-35-22(32)18-15(2)19(16-11-7-5-8-12-16)36-21(18)30-24(23(33)34-3,25(26,27)28)29-20(31)17-13-9-6-10-14-17/h5-14,30H,4H2,1-3H3,(H,29,31)
InChIKey RZBXXUSVPSSUKZ-UHFFFAOYSA-N
Mol Weight 520.52 g/mol
Molecular Formula C25H23F3N2O5S
Exact Mass 520.127978 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HITvJoUtOc8
Name 3-thiophenecarboxylic acid, 2-[[1-(benzoylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-4-methyl-5-phenyl-, 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 520.127977507 u
Formula C25H23F3N2O5S
InChI InChI=1S/C25H23F3N2O5S/c1-4-35-22(32)18-15(2)19(16-11-7-5-8-12-16)36-21(18)30-24(23(33)34-3,25(26,27)28)29-20(31)17-13-9-6-10-14-17/h5-14,30H,4H2,1-3H3,(H,29,31)
InChIKey RZBXXUSVPSSUKZ-UHFFFAOYSA-N
Molecular Weight 520.523 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12213
Solvent DMSO-d6
Source Vendor ID: NMR/10260726; Lab Info: AU; Lab Number: AU-0000053