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3-thiophenecarboxylic acid, 4-(3,4-dimethoxyphenyl)-2-[[(phenylamino)carbonothioyl]amino]-, ethyl ester
SpectraBase Compound ID 7n0sVqihWxc
InChI InChI=1S/C22H22N2O4S2/c1-4-28-21(25)19-16(14-10-11-17(26-2)18(12-14)27-3)13-30-20(19)24-22(29)23-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H2,23,24,29)
InChIKey GIOKAVLXKDLOCR-UHFFFAOYSA-N
Mol Weight 442.55 g/mol
Molecular Formula C22H22N2O4S2
Exact Mass 442.1021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CKGJLZfC72L
Name 3-thiophenecarboxylic acid, 4-(3,4-dimethoxyphenyl)-2-[[(phenylamino)carbonothioyl]amino]-, 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 442.102099540 u
Formula C22H22N2O4S2
InChI InChI=1S/C22H22N2O4S2/c1-4-28-21(25)19-16(14-10-11-17(26-2)18(12-14)27-3)13-30-20(19)24-22(29)23-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H2,23,24,29)
InChIKey GIOKAVLXKDLOCR-UHFFFAOYSA-N
Molecular Weight 442.548 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1279
Solvent DMSO-d6
Source Vendor ID: ZI/7073318; Lab Info: LP; Lab Number: LP-2179012
Temperature 29.85 °C