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ethyl 2-{[(2E)-2-cyano-3-phenyl-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EpL7omC6pUP
InChI InChI=1S/C21H20N2O3S/c1-2-26-21(25)18-16-10-6-7-11-17(16)27-20(18)23-19(24)15(13-22)12-14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,23,24)/b15-12+
InChIKey SDSUNPWVVAUKSK-NTCAYCPXSA-N
Mol Weight 380.46 g/mol
Molecular Formula C21H20N2O3S
Exact Mass 380.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jtl0t6NIA4H
Name ethyl 2-{[(2E)-2-cyano-3-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/C21H20N2O3S/c1-2-26-21(25)18-16-10-6-7-11-17(16)27-20(18)23-19(24)15(13-22)12-14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,23,24)/b15-12+
InChIKey SDSUNPWVVAUKSK-NTCAYCPXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5628
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: 121687; Labnumber: VLM0294; VK_ID: VK-005631
Synonyms ethyl 2-{[2-cyano-3-phenyl-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C