2-{[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-(4-fluorophenyl)acetamide

SpectraBase Compound ID	BzLzf4rtxtW
InChI	InChI=1S/C27H26FN3O5S/c1-34-21-11-15(12-22(35-2)26(21)36-3)24-18(13-29)27(31-19-5-4-6-20(32)25(19)24)37-14-23(33)30-17-9-7-16(28)8-10-17/h7-12,24,31H,4-6,14H2,1-3H3,(H,30,33)
InChIKey	MFFMMINBBSWLQL-UHFFFAOYSA-N Google Search
Mol Weight	523.58 g/mol
Molecular Formula	C27H26FN3O5S
Exact Mass	523.15772 g/mol

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SpectraBase Spectrum ID	5DCAQ7ObdQm
Name	2-{[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-(4-fluorophenyl)acetamide
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/C27H26FN3O5S/c1-34-21-11-15(12-22(35-2)26(21)36-3)24-18(13-29)27(31-19-5-4-6-20(32)25(19)24)37-14-23(33)30-17-9-7-16(28)8-10-17/h7-12,24,31H,4-6,14H2,1-3H3,(H,30,33)
InChIKey	MFFMMINBBSWLQL-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_22484
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: D59840; Labnumber: SHEL-0039; SBI_ID: SBI-022488
Temperature	308 °C