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alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(phenoxyacetyl)amino]-, ethyl ester

View entire compound with spectra: 1 NMR

alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(phenoxyacetyl)amino]-, ethyl ester
SpectraBase Compound ID HoWzOcOycXt
InChI InChI=1S/C22H24F3N3O5S/c1-2-32-20(31)21(22(23,24)25,27-16(29)12-33-13-8-4-3-5-9-13)28-19-17(18(26)30)14-10-6-7-11-15(14)34-19/h3-5,8-9,28H,2,6-7,10-12H2,1H3,(H2,26,30)(H,27,29)
InChIKey HEPAUYUIXJCYLL-UHFFFAOYSA-N
Mol Weight 499.51 g/mol
Molecular Formula C22H24F3N3O5S
Exact Mass 499.138877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPn8VIqyvH0
Name alanine, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-3,3,3-trifluoro-2-[(phenoxyacetyl)amino]-, 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 499.138876543 u
Formula C22H24F3N3O5S
InChI InChI=1S/C22H24F3N3O5S/c1-2-32-20(31)21(22(23,24)25,27-16(29)12-33-13-8-4-3-5-9-13)28-19-17(18(26)30)14-10-6-7-11-15(14)34-19/h3-5,8-9,28H,2,6-7,10-12H2,1H3,(H2,26,30)(H,27,29)
InChIKey HEPAUYUIXJCYLL-UHFFFAOYSA-N
Molecular Weight 499.505 g/mol
NMR Offset 20.5351
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2524
Solvent DMSO-d6
Source Vendor ID: NMR/9233779; Lab Info: AU; Lab Number: AU-0000682
Temperature 29.85 °C