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3-quinolinecarboxylic acid, 4-[4-(acetyloxy)phenyl]-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-[4-(acetyloxy)phenyl]-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID L3J9GCNtwEt
InChI InChI=1S/C25H31NO5S/c1-6-32-12-11-30-24(29)21-15(2)26-19-13-25(4,5)14-20(28)23(19)22(21)17-7-9-18(10-8-17)31-16(3)27/h7-10,22,26H,6,11-14H2,1-5H3
InChIKey HYNZAIKTUJHPTC-UHFFFAOYSA-N
Mol Weight 457.59 g/mol
Molecular Formula C25H31NO5S
Exact Mass 457.192294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JbIZskkNDlu
Name 3-quinolinecarboxylic acid, 4-[4-(acetyloxy)phenyl]-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl 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/C25H31NO5S/c1-6-32-12-11-30-24(29)21-15(2)26-19-13-25(4,5)14-20(28)23(19)22(21)17-7-9-18(10-8-17)31-16(3)27/h7-10,22,26H,6,11-14H2,1-5H3
InChIKey HYNZAIKTUJHPTC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7289
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/10328773