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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[3-(trifluoromethyl)phenoxy]acetyl]amino]-, 1-methylethyl ester

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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[3-(trifluoromethyl)phenoxy]acetyl]amino]-, 1-methylethyl ester
SpectraBase Compound ID 8utPtBhiwJ5
InChI InChI=1S/C21H22F3NO4S/c1-12(2)29-20(27)18-15-8-3-4-9-16(15)30-19(18)25-17(26)11-28-14-7-5-6-13(10-14)21(22,23)24/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,26)
InChIKey FVTMMWOVHWBXOU-UHFFFAOYSA-N
Mol Weight 441.47 g/mol
Molecular Formula C21H22F3NO4S
Exact Mass 441.122164 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KbQYSYqVvFi
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[3-(trifluoromethyl)phenoxy]acetyl]amino]-, 1-methylethyl 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 441.122163851 u
Formula C21H22F3NO4S
InChI InChI=1S/C21H22F3NO4S/c1-12(2)29-20(27)18-15-8-3-4-9-16(15)30-19(18)25-17(26)11-28-14-7-5-6-13(10-14)21(22,23)24/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,25,26)
InChIKey FVTMMWOVHWBXOU-UHFFFAOYSA-N
Molecular Weight 441.465 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4365
Solvent DMSO-d6
Source Vendor ID: NMR/9311224; Lab Number: PNA-0000732