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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[5-iodo-2-(methylthio)-3-thienyl]-2,7,7-trimethyl-5-oxo-, ethyl ester

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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[5-iodo-2-(methylthio)-3-thienyl]-2,7,7-trimethyl-5-oxo-, ethyl ester
SpectraBase Compound ID 87nKZ8bAGrm
InChI InChI=1S/C20H24INO3S2/c1-6-25-18(24)15-10(2)22-12-8-20(3,4)9-13(23)17(12)16(15)11-7-14(21)27-19(11)26-5/h7,16,22H,6,8-9H2,1-5H3
InChIKey LLSSBVQWKQMLQJ-UHFFFAOYSA-N
Mol Weight 517.44 g/mol
Molecular Formula C20H24INO3S2
Exact Mass 517.024231 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID wOkwqdTOcA
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[5-iodo-2-(methylthio)-3-thienyl]-2,7,7-trimethyl-5-oxo-, 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/C20H24INO3S2/c1-6-25-18(24)15-10(2)22-12-8-20(3,4)9-13(23)17(12)16(15)11-7-14(21)27-19(11)26-5/h7,16,22H,6,8-9H2,1-5H3
InChIKey LLSSBVQWKQMLQJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3977
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: ZI/6013653; Labnumber: 3B-1; IOH_ID: IOH-010980