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4-{3-methoxy-4-[(phenylsulfanyl)methyl]phenyl}-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
SpectraBase Compound ID Br1SlZ4v3qm
InChI InChI=1S/C33H35N3O3S/c1-20-13-14-34-28(15-20)36-32(38)29-21(2)35-25-17-33(3,4)18-26(37)31(25)30(29)22-11-12-23(27(16-22)39-5)19-40-24-9-7-6-8-10-24/h6-16,30,35H,17-19H2,1-5H3,(H,34,36,38)
InChIKey PCJYYZFXQFRWAI-UHFFFAOYSA-N
Mol Weight 553.7 g/mol
Molecular Formula C33H35N3O3S
Exact Mass 553.239913 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Es2JY7ff42v
Name 4-{3-methoxy-4-[(phenylsulfanyl)methyl]phenyl}-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
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/C33H35N3O3S/c1-20-13-14-34-28(15-20)36-32(38)29-21(2)35-25-17-33(3,4)18-26(37)31(25)30(29)22-11-12-23(27(16-22)39-5)19-40-24-9-7-6-8-10-24/h6-16,30,35H,17-19H2,1-5H3,(H,34,36,38)
InChIKey PCJYYZFXQFRWAI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13434
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/9131289; UBI_ID: UBI-013437
Temperature 313 °C