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

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benzo[b]thiophene-3-carboxylic acid, 2-[[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID JYf0UjOn3Sr
InChI InChI=1S/C20H18F6N2O3S/c1-31-17(30)14-12-9-5-6-10-13(12)32-16(14)28-18(19(21,22)23,20(24,25)26)27-15(29)11-7-3-2-4-8-11/h2-4,7-8,28H,5-6,9-10H2,1H3,(H,27,29)
InChIKey OROMAQBFKDQIHG-UHFFFAOYSA-N
Mol Weight 480.43 g/mol
Molecular Formula C20H18F6N2O3S
Exact Mass 480.094233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AxT5qRbc9Nh
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-(benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)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 480.094232597 u
Formula C20H18F6N2O3S
InChI InChI=1S/C20H18F6N2O3S/c1-31-17(30)14-12-9-5-6-10-13(12)32-16(14)28-18(19(21,22)23,20(24,25)26)27-15(29)11-7-3-2-4-8-11/h2-4,7-8,28H,5-6,9-10H2,1H3,(H,27,29)
InChIKey OROMAQBFKDQIHG-UHFFFAOYSA-N
Molecular Weight 480.425 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4006
Solvent DMSO-d6
Source Vendor ID: NMR/9233235; Lab Info: AU; Lab Number: AU-0000644
Temperature 29.85 °C