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(2E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(2,6-dichlorophenyl)-2-propenamide
SpectraBase Compound ID E8qfQO6yWPn
InChI InChI=1S/C22H22Cl2N2OS/c1-22(2,3)13-7-8-14-16(12-25)21(28-19(14)11-13)26-20(27)10-9-15-17(23)5-4-6-18(15)24/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,26,27)/b10-9+
InChIKey AEFNJFRNTLIMGK-MDZDMXLPSA-N
Mol Weight 433.4 g/mol
Molecular Formula C22H22Cl2N2OS
Exact Mass 432.08299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HmUc0Tq7Urf
Name (2E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(2,6-dichlorophenyl)-2-propenamide
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/C22H22Cl2N2OS/c1-22(2,3)13-7-8-14-16(12-25)21(28-19(14)11-13)26-20(27)10-9-15-17(23)5-4-6-18(15)24/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,26,27)/b10-9+
InChIKey AEFNJFRNTLIMGK-MDZDMXLPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14296
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/9045029; Labnumber: NSB0062008; UZI_ID: UZI-014300
Synonyms N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(2,6-dichlorophenyl)-2-propenamide
Temperature 318 °C