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methyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID BzRxYsOzAgV
InChI InChI=1S/C25H26BrNO4S/c1-4-20-15(13-31-17-10-8-16(26)9-11-17)12-21(32-20)24-22(25(29)30-3)14(2)27-18-6-5-7-19(28)23(18)24/h8-12,24,27H,4-7,13H2,1-3H3
InChIKey UAFXIKWUZGPBBL-UHFFFAOYSA-N
Mol Weight 516.45 g/mol
Molecular Formula C25H26BrNO4S
Exact Mass 515.076592 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ICXPiC6udb
Name methyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2-methyl-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/C25H26BrNO4S/c1-4-20-15(13-31-17-10-8-16(26)9-11-17)12-21(32-20)24-22(25(29)30-3)14(2)27-18-6-5-7-19(28)23(18)24/h8-12,24,27H,4-7,13H2,1-3H3
InChIKey UAFXIKWUZGPBBL-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14787
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/1020179; UBI_ID: UBI-014790
Temperature 300 °C