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Ethyl 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 5mA30SzT0m0
InChI InChI=1S/C29H32BrNO5/c1-6-35-28(33)25-17(2)31-22-14-29(3,4)15-23(32)27(22)26(25)18-10-11-24(34-5)19(12-18)16-36-21-9-7-8-20(30)13-21/h7-13,26,31H,6,14-16H2,1-5H3
InChIKey JDUFYWIKRXFTFZ-UHFFFAOYSA-N
Mol Weight 554.5 g/mol
Molecular Formula C29H32BrNO5
Exact Mass 553.146386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LhW4my80bHY
Name ethyl 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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H32BrNO5/c1-6-35-28(33)25-17(2)31-22-14-29(3,4)15-23(32)27(22)26(25)18-10-11-24(34-5)19(12-18)16-36-21-9-7-8-20(30)13-21/h7-13,26,31H,6,14-16H2,1-5H3
InChIKey JDUFYWIKRXFTFZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4606
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: 9678972; UBI_ID: UBI-004607
Temperature 308 °C