N-(1-adamantylacetyl)-N'-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]thiourea

SpectraBase Compound ID	JyPdF5cfgJY
InChI	InChI=1S/C27H37ClN4O2S/c1-2-3-25(34)32-8-6-31(7-9-32)23-5-4-21(13-22(23)28)29-26(35)30-24(33)17-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,13,18-20H,2-3,6-12,14-17H2,1H3,(H2,29,30,33,35)/t18-,19+,20-,27-
InChIKey	JGSQWKNBYKEHBT-ACFKOILWSA-N Google Search
Mol Weight	517.1 g/mol
Molecular Formula	C27H37ClN4O2S
Exact Mass	516.232575 g/mol

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SpectraBase Spectrum ID	KgU3BFUU91E
Name	N-(1-adamantylacetyl)-N'-[4-(4-butyryl-1-piperazinyl)-3-chlorophenyl]thiourea
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/C27H37ClN4O2S/c1-2-3-25(34)32-8-6-31(7-9-32)23-5-4-21(13-22(23)28)29-26(35)30-24(33)17-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,13,18-20H,2-3,6-12,14-17H2,1H3,(H2,29,30,33,35)/t18-,19+,20-,27-
InChIKey	JGSQWKNBYKEHBT-ACFKOILWSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_18530
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: D32864; Labnumber: SPMOS1-37286; SBI_ID: SBI-018533
Temperature	308 °C