2-(pentylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

SpectraBase Compound ID	LOIQlleK5sX
InChI	InChI=1S/C30H36N2OS/c1-2-3-12-21-34-29-31-27-25-16-9-8-15-24(25)22-30(18-10-5-11-19-30)26(27)28(33)32(29)20-17-23-13-6-4-7-14-23/h4,6-9,13-16H,2-3,5,10-12,17-22H2,1H3
InChIKey	JMPXKJXAELHSCX-UHFFFAOYSA-N Google Search
Mol Weight	472.7 g/mol
Molecular Formula	C30H36N2OS
Exact Mass	472.254835 g/mol

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SpectraBase Spectrum ID	LcMspD0ieaE
Name	2-(pentylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
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/C30H36N2OS/c1-2-3-12-21-34-29-31-27-25-16-9-8-15-24(25)22-30(18-10-5-11-19-30)26(27)28(33)32(29)20-17-23-13-6-4-7-14-23/h4,6-9,13-16H,2-3,5,10-12,17-22H2,1H3
InChIKey	JMPXKJXAELHSCX-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3502
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: 112229; Labnumber: AMIR-4581; VK_ID: VK-003503
Temperature	308 °C