2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid

SpectraBase Compound ID	LKWJrTjIByO
InChI	InChI=1S/C20H27NO5S/c1-11(2)26-20(25)16-14-9-5-6-10-15(14)27-18(16)21-17(22)12-7-3-4-8-13(12)19(23)24/h11-13H,3-10H2,1-2H3,(H,21,22)(H,23,24)
InChIKey	PVSRNRBBONIKKJ-UHFFFAOYSA-N Google Search
Mol Weight	393.5 g/mol
Molecular Formula	C20H27NO5S
Exact Mass	393.160994 g/mol

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SpectraBase Spectrum ID	KBDy8tIC5iJ
Name	2-({[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)cyclohexanecarboxylic acid
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/C20H27NO5S/c1-11(2)26-20(25)16-14-9-5-6-10-15(14)27-18(16)21-17(22)12-7-3-4-8-13(12)19(23)24/h11-13H,3-10H2,1-2H3,(H,21,22)(H,23,24)
InChIKey	PVSRNRBBONIKKJ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_12819
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/8027578; Labnumber: NSB0014386; UZI_ID: UZI-012823
Temperature	318 °C