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2,4-thiophenedicarboxylic acid, 3-methyl-5-[[[3-(trifluoromethyl)phenoxy]acetyl]amino]-, diethyl ester
SpectraBase Compound ID BS0LIIykjFl
InChI InChI=1S/C20H20F3NO6S/c1-4-28-18(26)15-11(3)16(19(27)29-5-2)31-17(15)24-14(25)10-30-13-8-6-7-12(9-13)20(21,22)23/h6-9H,4-5,10H2,1-3H3,(H,24,25)
InChIKey FBEKHADUNNOMKY-UHFFFAOYSA-N
Mol Weight 459.44 g/mol
Molecular Formula C20H20F3NO6S
Exact Mass 459.096343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H5Mihqd4cRj
Name 2,4-thiophenedicarboxylic acid, 3-methyl-5-[[[3-(trifluoromethyl)phenoxy]acetyl]amino]-, diethyl 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 459.096343025 u
Formula C20H20F3NO6S
InChI InChI=1S/C20H20F3NO6S/c1-4-28-18(26)15-11(3)16(19(27)29-5-2)31-17(15)24-14(25)10-30-13-8-6-7-12(9-13)20(21,22)23/h6-9H,4-5,10H2,1-3H3,(H,24,25)
InChIKey FBEKHADUNNOMKY-UHFFFAOYSA-N
Molecular Weight 459.436 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13962
Solvent DMSO-d6
Source Vendor ID: ZI/10021509; Lab Info: PNA; Lab Number: PNA-1991564