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

SpectraBase Compound ID	130xzVHbkg0
InChI	InChI=1S/C21H29NO5S/c1-2-3-12-27-21(26)17-15-10-6-7-11-16(15)28-19(17)22-18(23)13-8-4-5-9-14(13)20(24)25/h13-14H,2-12H2,1H3,(H,22,23)(H,24,25)
InChIKey	WVBDMEVHCIXOOZ-UHFFFAOYSA-N Google Search
Mol Weight	407.53 g/mol
Molecular Formula	C21H29NO5S
Exact Mass	407.176644 g/mol

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SpectraBase Spectrum ID	4s7UyN4zNIn
Name	2-({[3-(butoxycarbonyl)-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/C21H29NO5S/c1-2-3-12-27-21(26)17-15-10-6-7-11-16(15)28-19(17)22-18(23)13-8-4-5-9-14(13)20(24)25/h13-14H,2-12H2,1H3,(H,22,23)(H,24,25)
InChIKey	WVBDMEVHCIXOOZ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_19840
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/9151717; UBI_ID: UBI-019844
Temperature	318 °C