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ethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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ethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID ByOCho8xD4r
InChI InChI=1S/C30H34ClNO3S/c1-7-35-29(34)26-19(4)32-24-14-30(5,6)15-25(33)28(24)27(26)23-13-20(17(2)12-18(23)3)16-36-22-10-8-21(31)9-11-22/h8-13,27,32H,7,14-16H2,1-6H3
InChIKey QEXYECYBHWJWMS-UHFFFAOYSA-N
Mol Weight 524.1 g/mol
Molecular Formula C30H34ClNO3S
Exact Mass 523.194793 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BYUQItBMEAo
Name ethyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-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/C30H34ClNO3S/c1-7-35-29(34)26-19(4)32-24-14-30(5,6)15-25(33)28(24)27(26)23-13-20(17(2)12-18(23)3)16-36-22-10-8-21(31)9-11-22/h8-13,27,32H,7,14-16H2,1-6H3
InChIKey QEXYECYBHWJWMS-UHFFFAOYSA-N
NMR Offset 17.5268
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14488
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/1017852; UBI_ID: UBI-014491
Temperature 300 °C