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methyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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methyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 280TebxehxY
InChI InChI=1S/C25H26ClNO4S/c1-13-10-17(26)8-9-20(13)31-12-16-11-21(32-15(16)3)24-22(25(29)30-4)14(2)27-18-6-5-7-19(28)23(18)24/h8-11,24,27H,5-7,12H2,1-4H3
InChIKey VODSQSNBIQTBJQ-UHFFFAOYSA-N
Mol Weight 472.0 g/mol
Molecular Formula C25H26ClNO4S
Exact Mass 471.127107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 106a5vl0DPe
Name methyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-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/C25H26ClNO4S/c1-13-10-17(26)8-9-20(13)31-12-16-11-21(32-15(16)3)24-22(25(29)30-4)14(2)27-18-6-5-7-19(28)23(18)24/h8-11,24,27H,5-7,12H2,1-4H3
InChIKey VODSQSNBIQTBJQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14105
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/1010829; UBI_ID: UBI-014108
Temperature 308 °C