2-[(4-methylbenzyl)sulfanyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

SpectraBase Compound ID	qUuRW7h2qo
InChI	InChI=1S/C27H28N2O4S/c1-16-8-10-17(11-9-16)15-34-27-19(14-28)24(25-20(29-27)6-5-7-21(25)30)18-12-22(31-2)26(33-4)23(13-18)32-3/h8-13,24,29H,5-7,15H2,1-4H3
InChIKey	QZXFYOJCDKCBQW-UHFFFAOYSA-N Google Search
Mol Weight	476.59 g/mol
Molecular Formula	C27H28N2O4S
Exact Mass	476.176979 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	GD1zuJcnV0O
Name	2-[(4-methylbenzyl)sulfanyl]-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/C27H28N2O4S/c1-16-8-10-17(11-9-16)15-34-27-19(14-28)24(25-20(29-27)6-5-7-21(25)30)18-12-22(31-2)26(33-4)23(13-18)32-3/h8-13,24,29H,5-7,15H2,1-4H3
InChIKey	QZXFYOJCDKCBQW-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22488
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: D59844; Labnumber: SHEL-0046; SBI_ID: SBI-022492
Temperature	308 °C