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ethyl 2-{[(2E)-3-(4-bromophenyl)-2-propenoyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID KWKmssDdPcS
InChI InChI=1S/C22H25BrN2O4S/c1-5-25(6-2)21(27)19-14(4)18(22(28)29-7-3)20(30-19)24-17(26)13-10-15-8-11-16(23)12-9-15/h8-13H,5-7H2,1-4H3,(H,24,26)/b13-10+
InChIKey ORTVFKMUYYQPHI-JLHYYAGUSA-N
Mol Weight 493.42 g/mol
Molecular Formula C22H25BrN2O4S
Exact Mass 492.071841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOVaKPfJQ4r
Name ethyl 2-{[(2E)-3-(4-bromophenyl)-2-propenoyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
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/C22H25BrN2O4S/c1-5-25(6-2)21(27)19-14(4)18(22(28)29-7-3)20(30-19)24-17(26)13-10-15-8-11-16(23)12-9-15/h8-13H,5-7H2,1-4H3,(H,24,26)/b13-10+
InChIKey ORTVFKMUYYQPHI-JLHYYAGUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12851
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/8021300; Labnumber: NSB0015222; UZI_ID: UZI-012855
Synonyms ethyl 2-{[3-(4-bromophenyl)-2-propenoyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
Temperature 306 °C