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ethyl 4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 1 NMR

ethyl 4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID C48sLMkR1N0
InChI InChI=1S/C27H30BrNO4S/c1-6-32-26(31)23-15(2)29-19-12-27(4,5)13-20(30)24(19)25(23)22-11-17(16(3)34-22)14-33-21-10-8-7-9-18(21)28/h7-11,25,29H,6,12-14H2,1-5H3
InChIKey IRKIOULGQWEYAL-UHFFFAOYSA-N
Mol Weight 544.5 g/mol
Molecular Formula C27H30BrNO4S
Exact Mass 543.107893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4CU0yLxOws0
Name ethyl 4-{4-[(2-bromophenoxy)methyl]-5-methyl-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/C27H30BrNO4S/c1-6-32-26(31)23-15(2)29-19-12-27(4,5)13-20(30)24(19)25(23)22-11-17(16(3)34-22)14-33-21-10-8-7-9-18(21)28/h7-11,25,29H,6,12-14H2,1-5H3
InChIKey IRKIOULGQWEYAL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14197
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/1011166; UBI_ID: UBI-014200
Temperature 308 °C