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methyl 4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID GnDGZNWzClh
InChI InChI=1S/C28H30BrNO5/c1-16-24(27(32)34-5)25(26-21(30-16)13-28(2,3)14-22(26)31)17-9-10-23(33-4)18(11-17)15-35-20-8-6-7-19(29)12-20/h6-12,25,30H,13-15H2,1-5H3
InChIKey MDHBOHVDJGXQQN-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 9tLplmMHmi8
Name methyl 4-{3-[(3-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(26-21(30-16)13-28(2,3)14-22(26)31)17-9-10-23(33-4)18(11-17)15-35-20-8-6-7-19(29)12-20/h6-12,25,30H,13-15H2,1-5H3
InChIKey MDHBOHVDJGXQQN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4604
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: 9676946; UBI_ID: UBI-004605
Temperature 308 °C