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ethyl 2-[((2E)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-2-propenoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 9NoRVTSnQ3y
InChI InChI=1S/C27H23F3N2O4S/c1-3-35-26(34)23-20-9-7-15(2)11-22(20)37-25(23)32-24(33)17(14-31)13-19-8-10-21(36-19)16-5-4-6-18(12-16)27(28,29)30/h4-6,8,10,12-13,15H,3,7,9,11H2,1-2H3,(H,32,33)/b17-13+
InChIKey OBPNPXGRCJLBSV-GHRIWEEISA-N
Mol Weight 528.55 g/mol
Molecular Formula C27H23F3N2O4S
Exact Mass 528.133063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID TMyCJAVGbb
Name ethyl 2-[((2E)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl]-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/C27H23F3N2O4S/c1-3-35-26(34)23-20-9-7-15(2)11-22(20)37-25(23)32-24(33)17(14-31)13-19-8-10-21(36-19)16-5-4-6-18(12-16)27(28,29)30/h4-6,8,10,12-13,15H,3,7,9,11H2,1-2H3,(H,32,33)/b17-13+
InChIKey OBPNPXGRCJLBSV-GHRIWEEISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14691
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: C25982; Labnumber: MAT3-0014; SBI_ID: SBI-014694
Synonyms ethyl 2-[(2-cyano-3-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-2-propenoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C