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ethyl 4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID IoMvcwH1oAk
InChI InChI=1S/C25H26BrNO4S/c1-4-30-25(29)22-14(2)27-18-9-7-10-19(28)23(18)24(22)21-12-16(15(3)32-21)13-31-20-11-6-5-8-17(20)26/h5-6,8,11-12,24,27H,4,7,9-10,13H2,1-3H3
InChIKey MSUSXWRWKYOSQF-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 Fhk3joyO0Uw
Name ethyl 4-{4-[(2-bromophenoxy)methyl]-5-methyl-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/c1-4-30-25(29)22-14(2)27-18-9-7-10-19(28)23(18)24(22)21-12-16(15(3)32-21)13-31-20-11-6-5-8-17(20)26/h5-6,8,11-12,24,27H,4,7,9-10,13H2,1-3H3
InChIKey MSUSXWRWKYOSQF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13178
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/1010192; UBI_ID: UBI-013181
Temperature 308 °C