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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 6YJFiopIxe6
InChI InChI=1S/C21H27NO3S2/c1-5-26-9-7-25-20(24)17-13(2)22-15-10-21(3,4)11-16(23)19(15)18(17)14-6-8-27-12-14/h6,8,12,18,22H,5,7,9-11H2,1-4H3
InChIKey HDDNODRDLFBKNB-UHFFFAOYSA-N
Mol Weight 405.57 g/mol
Molecular Formula C21H27NO3S2
Exact Mass 405.143236 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K09ZLd7YSE5
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(3-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/C21H27NO3S2/c1-5-26-9-7-25-20(24)17-13(2)22-15-10-21(3,4)11-16(23)19(15)18(17)14-6-8-27-12-14/h6,8,12,18,22H,5,7,9-11H2,1-4H3
InChIKey HDDNODRDLFBKNB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7212
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/10328598