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2-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester

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2-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID NnDLFhrkT4
InChI InChI=1S/C21H24Cl2N2O5S/c1-5-25(6-2)20(27)18-12(4)17(21(28)29-7-3)19(31-18)24-16(26)11-30-15-9-8-13(22)10-14(15)23/h8-10H,5-7,11H2,1-4H3,(H,24,26)
InChIKey NCHXBOQQNMRIAI-UHFFFAOYSA-N
Mol Weight 487.4 g/mol
Molecular Formula C21H24Cl2N2O5S
Exact Mass 486.078298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9NF0goR2AA3
Name 3-thiophenecarboxylic acid, 2-[[(2,4-dichlorophenoxy)acetyl]amino]-5-[(diethylamino)carbonyl]-4-methyl-, ethyl 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 486.078298450 u
Formula C21H24Cl2N2O5S
InChI InChI=1S/C21H24Cl2N2O5S/c1-5-25(6-2)20(27)18-12(4)17(21(28)29-7-3)19(31-18)24-16(26)11-30-15-9-8-13(22)10-14(15)23/h8-10H,5-7,11H2,1-4H3,(H,24,26)
InChIKey NCHXBOQQNMRIAI-UHFFFAOYSA-N
Molecular Weight 487.398 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11664
Solvent DMSO-d6
Source Vendor ID: NMR/10271286; Lab Info: SAS; Lab Number: SAS-tst4040