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benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID KenRdai4GLY
InChI InChI=1S/C23H25F3N2O6S/c1-3-33-21(31)22(23(24,25)26,27-17(29)13-34-14-9-5-4-6-10-14)28-19-18(20(30)32-2)15-11-7-8-12-16(15)35-19/h4-6,9-10,28H,3,7-8,11-13H2,1-2H3,(H,27,29)
InChIKey CGGVTKIDSNFPFG-UHFFFAOYSA-N
Mol Weight 514.52 g/mol
Molecular Formula C23H25F3N2O6S
Exact Mass 514.138542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ehyycf7WcuG
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(phenoxyacetyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl 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 514.138542190 u
Formula C23H25F3N2O6S
InChI InChI=1S/C23H25F3N2O6S/c1-3-33-21(31)22(23(24,25)26,27-17(29)13-34-14-9-5-4-6-10-14)28-19-18(20(30)32-2)15-11-7-8-12-16(15)35-19/h4-6,9-10,28H,3,7-8,11-13H2,1-2H3,(H,27,29)
InChIKey CGGVTKIDSNFPFG-UHFFFAOYSA-N
Molecular Weight 514.516 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2526
Solvent DMSO-d6
Source Vendor ID: NMR/9233781; Lab Info: AU; Lab Number: AU-0000684
Temperature 29.85 °C