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methyl 2-{[(2E)-3-(3,4-dichlorophenyl)-2-propenoyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2ot4OXyN7nX
InChI InChI=1S/C25H21Cl2NO3S/c1-31-25(30)23-18-10-9-17(16-5-3-2-4-6-16)14-21(18)32-24(23)28-22(29)12-8-15-7-11-19(26)20(27)13-15/h2-8,11-13,17H,9-10,14H2,1H3,(H,28,29)/b12-8+
InChIKey GFSHILHTGTXODB-XYOKQWHBSA-N
Mol Weight 486.41 g/mol
Molecular Formula C25H21Cl2NO3S
Exact Mass 485.06192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DZcjb9ZGugg
Name methyl 2-{[(2E)-3-(3,4-dichlorophenyl)-2-propenoyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C25H21Cl2NO3S/c1-31-25(30)23-18-10-9-17(16-5-3-2-4-6-16)14-21(18)32-24(23)28-22(29)12-8-15-7-11-19(26)20(27)13-15/h2-8,11-13,17H,9-10,14H2,1H3,(H,28,29)/b12-8+
InChIKey GFSHILHTGTXODB-XYOKQWHBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34618
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: 9100016; SBI_ID: SBI-034622
Synonyms methyl 2-{[3-(3,4-dichlorophenyl)-2-propenoyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C