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methyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 5mdXS2a79pt
InChI InChI=1S/C27H30ClNO4S/c1-14-9-18(28)7-8-21(14)33-13-17-10-22(34-16(17)3)25-23(26(31)32-6)15(2)29-19-11-27(4,5)12-20(30)24(19)25/h7-10,25,29H,11-13H2,1-6H3
InChIKey UZABTMQIKZYHHW-UHFFFAOYSA-N
Mol Weight 500.05 g/mol
Molecular Formula C27H30ClNO4S
Exact Mass 499.158407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2iaBzL91ahB
Name methyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-2,7,7-trimethyl-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/C27H30ClNO4S/c1-14-9-18(28)7-8-21(14)33-13-17-10-22(34-16(17)3)25-23(26(31)32-6)15(2)29-19-11-27(4,5)12-20(30)24(19)25/h7-10,25,29H,11-13H2,1-6H3
InChIKey UZABTMQIKZYHHW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13843
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/1010546; UBI_ID: UBI-013846
Temperature 308 °C