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2-(benzylsulfanyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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2-(benzylsulfanyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 3qzuCCiC31v
InChI InChI=1S/C28H30N2O4S/c1-28(2)13-20-25(21(31)14-28)24(18-11-22(32-3)26(34-5)23(12-18)33-4)19(15-29)27(30-20)35-16-17-9-7-6-8-10-17/h6-12,24,30H,13-14,16H2,1-5H3
InChIKey LRCXGUSFNOOEOV-UHFFFAOYSA-N
Mol Weight 490.62 g/mol
Molecular Formula C28H30N2O4S
Exact Mass 490.192629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IJf8GC2CpDX
Name 2-(benzylsulfanyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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/C28H30N2O4S/c1-28(2)13-20-25(21(31)14-28)24(18-11-22(32-3)26(34-5)23(12-18)33-4)19(15-29)27(30-20)35-16-17-9-7-6-8-10-17/h6-12,24,30H,13-14,16H2,1-5H3
InChIKey LRCXGUSFNOOEOV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8566
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: 133127; Labnumber: SAR1-029; VK_ID: VK-008570
Temperature 308 °C