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ethyl 2-({(2E)-2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CFM27w4VJK3
InChI InChI=1S/C26H22Cl2N2O4S/c1-3-33-26(32)23-19-7-4-14(2)10-22(19)35-25(23)30-24(31)15(13-29)11-17-6-9-21(34-17)18-8-5-16(27)12-20(18)28/h5-6,8-9,11-12,14H,3-4,7,10H2,1-2H3,(H,30,31)/b15-11+
InChIKey WDQNSGVFEHEUOF-RVDMUPIBSA-N
Mol Weight 529.44 g/mol
Molecular Formula C26H22Cl2N2O4S
Exact Mass 528.067734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Pdj3DGGfCG
Name ethyl 2-({(2E)-2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]-2-propenoyl}amino)-6-methyl-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/C26H22Cl2N2O4S/c1-3-33-26(32)23-19-7-4-14(2)10-22(19)35-25(23)30-24(31)15(13-29)11-17-6-9-21(34-17)18-8-5-16(27)12-20(18)28/h5-6,8-9,11-12,14H,3-4,7,10H2,1-2H3,(H,30,31)/b15-11+
InChIKey WDQNSGVFEHEUOF-RVDMUPIBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14696
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: C25992; Labnumber: MAT3-0024; SBI_ID: SBI-014699
Synonyms ethyl 2-({2-cyano-3-[5-(2,4-dichlorophenyl)-2-furyl]-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C