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ethyl 2-({(2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-({(2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID JP8x1zOP4Ov
InChI InChI=1S/C22H19F3N2O3S/c1-2-30-21(29)18-16-8-3-4-9-17(16)31-20(18)27-19(28)14(12-26)10-13-6-5-7-15(11-13)22(23,24)25/h5-7,10-11H,2-4,8-9H2,1H3,(H,27,28)/b14-10+
InChIKey YMMFIJZBCVCKSV-GXDHUFHOSA-N
Mol Weight 448.46 g/mol
Molecular Formula C22H19F3N2O3S
Exact Mass 448.106848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1omSpGBfHF5
Name ethyl 2-({(2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]-2-propenoyl}amino)-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/C22H19F3N2O3S/c1-2-30-21(29)18-16-8-3-4-9-17(16)31-20(18)27-19(28)14(12-26)10-13-6-5-7-15(11-13)22(23,24)25/h5-7,10-11H,2-4,8-9H2,1H3,(H,27,28)/b14-10+
InChIKey YMMFIJZBCVCKSV-GXDHUFHOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14705
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: C26004; Labnumber: MAT3-0036; SBI_ID: SBI-014708
Synonyms ethyl 2-({2-cyano-3-[3-(trifluoromethyl)phenyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C