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ethyl 2-{[(2E)-3-(4-bromophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID AM6seIRN2wG
InChI InChI=1S/C21H22BrNO3S/c1-2-26-21(25)19-16-6-4-3-5-7-17(16)27-20(19)23-18(24)13-10-14-8-11-15(22)12-9-14/h8-13H,2-7H2,1H3,(H,23,24)/b13-10+
InChIKey UUPMKZSCGWBHFF-JLHYYAGUSA-N
Mol Weight 448.38 g/mol
Molecular Formula C21H22BrNO3S
Exact Mass 447.050378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6IXYHyPdFGb
Name ethyl 2-{[(2E)-3-(4-bromophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C21H22BrNO3S/c1-2-26-21(25)19-16-6-4-3-5-7-17(16)27-20(19)23-18(24)13-10-14-8-11-15(22)12-9-14/h8-13H,2-7H2,1H3,(H,23,24)/b13-10+
InChIKey UUPMKZSCGWBHFF-JLHYYAGUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14372
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/9052612; Labnumber: NSB0063354; UZI_ID: UZI-014376
Synonyms ethyl 2-{[3-(4-bromophenyl)-2-propenoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 318 °C