2-(isopentylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

SpectraBase Compound ID	9BlamfKI6gl
InChI	InChI=1S/C28H32N2OS/c1-19(2)14-17-32-27-29-25-23-9-5-4-8-21(23)18-28(15-6-7-16-28)24(25)26(31)30(27)22-12-10-20(3)11-13-22/h4-5,8-13,19H,6-7,14-18H2,1-3H3
InChIKey	PGZLJIDMCKXFJE-UHFFFAOYSA-N Google Search
Mol Weight	444.6 g/mol
Molecular Formula	C28H32N2OS
Exact Mass	444.223535 g/mol

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SpectraBase Spectrum ID	BOd6WB8mGvt
Name	2-(isopentylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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/C28H32N2OS/c1-19(2)14-17-32-27-29-25-23-9-5-4-8-21(23)18-28(15-6-7-16-28)24(25)26(31)30(27)22-12-10-20(3)11-13-22/h4-5,8-13,19H,6-7,14-18H2,1-3H3
InChIKey	PGZLJIDMCKXFJE-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3460
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: 112170; Labnumber: AMIR-4477; VK_ID: VK-003461
Temperature	308 °C