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2,4-thiophenedicarboxylic acid, 5-[[2-(4-fluorophenoxy)-1-oxopropyl]amino]-3-methyl-, diethyl ester
SpectraBase Compound ID AfQDAHpuYAS
InChI InChI=1S/C20H22FNO6S/c1-5-26-19(24)15-11(3)16(20(25)27-6-2)29-18(15)22-17(23)12(4)28-14-9-7-13(21)8-10-14/h7-10,12H,5-6H2,1-4H3,(H,22,23)
InChIKey GDOVHKOQEPGBJT-UHFFFAOYSA-N
Mol Weight 423.46 g/mol
Molecular Formula C20H22FNO6S
Exact Mass 423.115187 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5DSDER8dTYx
Name 2,4-thiophenedicarboxylic acid, 5-[[2-(4-fluorophenoxy)-1-oxopropyl]amino]-3-methyl-, 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 423.115186763 u
Formula C20H22FNO6S
InChI InChI=1S/C20H22FNO6S/c1-5-26-19(24)15-11(3)16(20(25)27-6-2)29-18(15)22-17(23)12(4)28-14-9-7-13(21)8-10-14/h7-10,12H,5-6H2,1-4H3,(H,22,23)
InChIKey GDOVHKOQEPGBJT-UHFFFAOYSA-N
Molecular Weight 423.455 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14026
Solvent DMSO-d6
Source Vendor ID: ZI/10020830; Lab Info: PNA; Lab Number: PNA-1991566