N-[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-(4-isopropoxyphenyl)-4-quinolinecarboxamide

SpectraBase Compound ID	GW20CDZsSVq
InChI	InChI=1S/C33H37N3O3S/c1-6-33(4,5)21-13-16-24-28(17-21)40-32(29(24)30(34)37)36-31(38)25-18-27(35-26-10-8-7-9-23(25)26)20-11-14-22(15-12-20)39-19(2)3/h7-12,14-15,18-19,21H,6,13,16-17H2,1-5H3,(H2,34,37)(H,36,38)
InChIKey	XHJORJBHCZEDEP-UHFFFAOYSA-N Google Search
Mol Weight	555.7 g/mol
Molecular Formula	C33H37N3O3S
Exact Mass	555.255563 g/mol

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SpectraBase Spectrum ID	TZ77UZ8DD5
Name	N-[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-(4-isopropoxyphenyl)-4-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/C33H37N3O3S/c1-6-33(4,5)21-13-16-24-28(17-21)40-32(29(24)30(34)37)36-31(38)25-18-27(35-26-10-8-7-9-23(25)26)20-11-14-22(15-12-20)39-19(2)3/h7-12,14-15,18-19,21H,6,13,16-17H2,1-5H3,(H2,34,37)(H,36,38)
InChIKey	XHJORJBHCZEDEP-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_1876
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	ACETONE-d6
Source File Reference	VendorID: UZI/9438399; Labnumber: AM-AC/0043096; UZI_ID: UZI-001878
Temperature	318 °C