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

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benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(2-furanylcarbonyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl
SpectraBase Compound ID KJ2f9FXdgWD
InChI InChI=1S/C20H21F3N2O6S/c1-3-30-18(28)19(20(21,22)23,24-15(26)12-8-6-10-31-12)25-16-14(17(27)29-2)11-7-4-5-9-13(11)32-16/h6,8,10,25H,3-5,7,9H2,1-2H3,(H,24,26)
InChIKey YCKOZBZMDANQQA-UHFFFAOYSA-N
Mol Weight 474.45 g/mol
Molecular Formula C20H21F3N2O6S
Exact Mass 474.107242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2T5tIMte4kc
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(2-furanylcarbonyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-, methyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.107242061 u
Formula C20H21F3N2O6S
InChI InChI=1S/C20H21F3N2O6S/c1-3-30-18(28)19(20(21,22)23,24-15(26)12-8-6-10-31-12)25-16-14(17(27)29-2)11-7-4-5-9-13(11)32-16/h6,8,10,25H,3-5,7,9H2,1-2H3,(H,24,26)
InChIKey YCKOZBZMDANQQA-UHFFFAOYSA-N
Molecular Weight 474.451 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5053
Solvent DMSO-d6
Source Vendor ID: NMR/9290893; Lab Info: AU; Lab Number: AU-EC00509