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methyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 2nA8ExBvMSw
InChI InChI=1S/C28H30BrNO5/c1-16-24(27(32)34-5)25(26-20(30-16)13-28(2,3)14-21(26)31)17-10-11-22(33-4)18(12-17)15-35-23-9-7-6-8-19(23)29/h6-12,25,30H,13-15H2,1-5H3
InChIKey GQPIICZHNMFQIU-UHFFFAOYSA-N
Mol Weight 540.45 g/mol
Molecular Formula C28H30BrNO5
Exact Mass 539.130736 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4FujA13RdDN
Name methyl 4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-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/C28H30BrNO5/c1-16-24(27(32)34-5)25(26-20(30-16)13-28(2,3)14-21(26)31)17-10-11-22(33-4)18(12-17)15-35-23-9-7-6-8-19(23)29/h6-12,25,30H,13-15H2,1-5H3
InChIKey GQPIICZHNMFQIU-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1391
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: 9311815; UBI_ID: UBI-001392
Temperature 308 °C