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

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3-quinolinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 1-methylethyl ester
SpectraBase Compound ID GjwCi2TfFTJ
InChI InChI=1S/C23H26BrNO5/c1-11(2)30-22(27)19-12(3)25-15-8-23(4,5)9-16(26)21(15)20(19)13-6-17-18(7-14(13)24)29-10-28-17/h6-7,11,20,25H,8-10H2,1-5H3
InChIKey ZLXPUIUWBLVWNR-UHFFFAOYSA-N
Mol Weight 476.37 g/mol
Molecular Formula C23H26BrNO5
Exact Mass 475.099436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1z5azH50NF5
Name 3-quinolinecarboxylic acid, 4-(6-bromo-1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 1-methylethyl ester
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/C23H26BrNO5/c1-11(2)30-22(27)19-12(3)25-15-8-23(4,5)9-16(26)21(15)20(19)13-6-17-18(7-14(13)24)29-10-28-17/h6-7,11,20,25H,8-10H2,1-5H3
InChIKey ZLXPUIUWBLVWNR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_424
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: NMR/11258190