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propyl 2-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4yzam7oCg9E
InChI InChI=1S/C21H22N2O5S/c1-2-13-28-21(25)19-16-5-3-4-6-17(16)29-20(19)22-18(24)12-9-14-7-10-15(11-8-14)23(26)27/h7-12H,2-6,13H2,1H3,(H,22,24)/b12-9+
InChIKey HIGRNKMLWKNKMG-FMIVXFBMSA-N
Mol Weight 414.48 g/mol
Molecular Formula C21H22N2O5S
Exact Mass 414.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FZauN3BpsZL
Name propyl 2-{[(2E)-3-(4-nitrophenyl)-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/C21H22N2O5S/c1-2-13-28-21(25)19-16-5-3-4-6-17(16)29-20(19)22-18(24)12-9-14-7-10-15(11-8-14)23(26)27/h7-12H,2-6,13H2,1H3,(H,22,24)/b12-9+
InChIKey HIGRNKMLWKNKMG-FMIVXFBMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_13218
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: UZI/8052816; Labnumber: NSB0025413; UZI_ID: UZI-013222
Synonyms propyl 2-{[3-(4-nitrophenyl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C