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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(1-oxopropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, methyl ester
SpectraBase Compound ID Cqm0hBcjDyl
InChI InChI=1S/C16H18F6N2O3S/c1-3-10(25)23-14(15(17,18)19,16(20,21)22)24-12-11(13(26)27-2)8-6-4-5-7-9(8)28-12/h24H,3-7H2,1-2H3,(H,23,25)
InChIKey MICJVFDFUHGVSP-UHFFFAOYSA-N
Mol Weight 432.38 g/mol
Molecular Formula C16H18F6N2O3S
Exact Mass 432.094233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2mLY3T19f8w
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(1-oxopropyl)amino]-1-(trifluoromethyl)ethyl]amino]-, 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 432.094232597 u
Formula C16H18F6N2O3S
InChI InChI=1S/C16H18F6N2O3S/c1-3-10(25)23-14(15(17,18)19,16(20,21)22)24-12-11(13(26)27-2)8-6-4-5-7-9(8)28-12/h24H,3-7H2,1-2H3,(H,23,25)
InChIKey MICJVFDFUHGVSP-UHFFFAOYSA-N
Molecular Weight 432.381 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4005
Solvent DMSO-d6
Source Vendor ID: NMR/9233234; Lab Info: AU; Lab Number: AU-0000643
Temperature 29.85 °C