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ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 2IWR43ESb7p
InChI InChI=1S/C28H32BrNO4S/c1-6-22-17(15-34-19-10-8-18(29)9-11-19)12-23(35-22)26-24(27(32)33-7-2)16(3)30-20-13-28(4,5)14-21(31)25(20)26/h8-12,26,30H,6-7,13-15H2,1-5H3
InChIKey BCSLPJNHYOSHJS-UHFFFAOYSA-N
Mol Weight 558.5 g/mol
Molecular Formula C28H32BrNO4S
Exact Mass 557.123543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ejh7stKLbzB
Name ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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/C28H32BrNO4S/c1-6-22-17(15-34-19-10-8-18(29)9-11-19)12-23(35-22)26-24(27(32)33-7-2)16(3)30-20-13-28(4,5)14-21(31)25(20)26/h8-12,26,30H,6-7,13-15H2,1-5H3
InChIKey BCSLPJNHYOSHJS-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_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: UZI/1020009; UBI_ID: UBI-014708
Temperature 300 °C