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3-quinolinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, propyl ester

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3-quinolinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, propyl ester
SpectraBase Compound ID IGLLcFU8PTI
InChI InChI=1S/C27H26BrNO5/c1-3-9-32-27(31)24-15(2)29-20-10-17(16-7-5-4-6-8-16)11-21(30)26(20)25(24)18-12-22-23(13-19(18)28)34-14-33-22/h4-8,12-13,17,25,29H,3,9-11,14H2,1-2H3
InChIKey ACRPOQAVPVWNMQ-UHFFFAOYSA-N
Mol Weight 524.41 g/mol
Molecular Formula C27H26BrNO5
Exact Mass 523.099436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I7KQu6PeTgd
Name 3-quinolinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-, propyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.099435936 u
Formula C27H26BrNO5
InChI InChI=1S/C27H26BrNO5/c1-3-9-32-27(31)24-15(2)29-20-10-17(16-7-5-4-6-8-16)11-21(30)26(20)25(24)18-12-22-23(13-19(18)28)34-14-33-22/h4-8,12-13,17,25,29H,3,9-11,14H2,1-2H3
InChIKey ACRPOQAVPVWNMQ-UHFFFAOYSA-N
Molecular Weight 524.411 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1362
Solvent DMSO-d6
Source Vendor ID: ZI/8106308; Lab Info: SAS; Lab Number: SAS-nw11561