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pentyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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pentyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID DbKMyFmzT6Z
InChI InChI=1S/C25H31NO5/c1-5-6-7-10-29-24(28)21-15(2)26-17-12-25(3,4)13-18(27)23(17)22(21)16-8-9-19-20(11-16)31-14-30-19/h8-9,11,22,26H,5-7,10,12-14H2,1-4H3
InChIKey NAFBNDATGXJXQT-UHFFFAOYSA-N
Mol Weight 425.53 g/mol
Molecular Formula C25H31NO5
Exact Mass 425.220223 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8LFQm4fsHdX
Name pentyl 4-(1,3-benzodioxol-5-yl)-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/C25H31NO5/c1-5-6-7-10-29-24(28)21-15(2)26-17-12-25(3,4)13-18(27)23(17)22(21)16-8-9-19-20(11-16)31-14-30-19/h8-9,11,22,26H,5-7,10,12-14H2,1-4H3
InChIKey NAFBNDATGXJXQT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_17047
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: UZI/7102061; Labnumber: SAS0000547; UZI_ID: UZI-017051
Temperature 318 °C