For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-7-(2-thienyl)-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 9QrIgXEODtR
InChI InChI=1S/C27H29NO5S2/c1-4-34-13-11-33-27(31)23-16(2)28-20-14-19(22-6-5-12-35-22)15-21(29)25(20)24(23)17-7-9-18(10-8-17)26(30)32-3/h5-10,12,19,24,28H,4,11,13-15H2,1-3H3
InChIKey IUGXEQSYTBOJHE-UHFFFAOYSA-N
Mol Weight 511.65 g/mol
Molecular Formula C27H29NO5S2
Exact Mass 511.148715 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GJDdcrJkM8Z
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-7-(2-thienyl)-, 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/C27H29NO5S2/c1-4-34-13-11-33-27(31)23-16(2)28-20-14-19(22-6-5-12-35-22)15-21(29)25(20)24(23)17-7-9-18(10-8-17)26(30)32-3/h5-10,12,19,24,28H,4,11,13-15H2,1-3H3
InChIKey IUGXEQSYTBOJHE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_302
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/11221199; Labnumber: SAS-tst4532