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

View entire compound with spectra: 1 NMR

benzo[b]thiophene-3-carboxylic acid, 2-[[1-[(2-ethoxybenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID KMrmplsq5a7
InChI InChI=1S/C22H22F6N2O4S/c1-3-34-14-10-6-4-8-12(14)17(31)29-20(21(23,24)25,22(26,27)28)30-18-16(19(32)33-2)13-9-5-7-11-15(13)35-18/h4,6,8,10,30H,3,5,7,9,11H2,1-2H3,(H,29,31)
InChIKey OIDCHWCKZUIHQX-UHFFFAOYSA-N
Mol Weight 524.48 g/mol
Molecular Formula C22H22F6N2O4S
Exact Mass 524.120447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3rHnKmxvduW
Name benzo[b]thiophene-3-carboxylic acid, 2-[[1-[(2-ethoxybenzoyl)amino]-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 524.120447344 u
Formula C22H22F6N2O4S
InChI InChI=1S/C22H22F6N2O4S/c1-3-34-14-10-6-4-8-12(14)17(31)29-20(21(23,24)25,22(26,27)28)30-18-16(19(32)33-2)13-9-5-7-11-15(13)35-18/h4,6,8,10,30H,3,5,7,9,11H2,1-2H3,(H,29,31)
InChIKey OIDCHWCKZUIHQX-UHFFFAOYSA-N
Molecular Weight 524.478 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4007
Solvent DMSO-d6
Source Vendor ID: NMR/9233239; Lab Info: AU; Lab Number: AU-0000659
Temperature 29.85 °C