2-((2-methylallyl)thio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

SpectraBase Compound ID	JCneCf86Jy7
InChI	InChI=1S/C28H30N2OS/c1-19(2)18-32-27-29-25-23-13-6-5-11-21(23)17-28(14-7-4-8-15-28)24(25)26(31)30(27)22-12-9-10-20(3)16-22/h5-6,9-13,16H,1,4,7-8,14-15,17-18H2,2-3H3
InChIKey	YEIHTDXYIZTGEG-UHFFFAOYSA-N Google Search
Mol Weight	442.62 g/mol
Molecular Formula	C28H30N2OS
Exact Mass	442.207885 g/mol

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SpectraBase Spectrum ID	9v6mkctmQqz
Name	2-((2-methylallyl)thio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H30N2OS/c1-19(2)18-32-27-29-25-23-13-6-5-11-21(23)17-28(14-7-4-8-15-28)24(25)26(31)30(27)22-12-9-10-20(3)16-22/h5-6,9-13,16H,1,4,7-8,14-15,17-18H2,2-3H3
InChIKey	YEIHTDXYIZTGEG-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_7269
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: NMR/12238603