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3-chloro-N-{3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}-6-methyl-1-benzothiophene-2-carboxamide
SpectraBase Compound ID 61ZgUayhryW
InChI InChI=1S/C21H20ClN3O2S2/c1-5-25(6-2)21(27)17-12(4)14(10-23)20(29-17)24-19(26)18-16(22)13-8-7-11(3)9-15(13)28-18/h7-9H,5-6H2,1-4H3,(H,24,26)
InChIKey SESPAEOBFANPOT-UHFFFAOYSA-N
Mol Weight 445.98 g/mol
Molecular Formula C21H20ClN3O2S2
Exact Mass 445.068547 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ChnyLDnslYL
Name 3-chloro-N-{3-cyano-5-[(diethylamino)carbonyl]-4-methyl-2-thienyl}-6-methyl-1-benzothiophene-2-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H20ClN3O2S2/c1-5-25(6-2)21(27)17-12(4)14(10-23)20(29-17)24-19(26)18-16(22)13-8-7-11(3)9-15(13)28-18/h7-9H,5-6H2,1-4H3,(H,24,26)
InChIKey SESPAEOBFANPOT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16972
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8200839; UBI_ID: UBI-016975
Temperature 318 °C