2-(benzylthio)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one

SpectraBase Compound ID	7VBqJpkPBxO
InChI	InChI=1S/C30H34N2O2S/c1-29(2)19-23(14-17-34-29)32-27(33)25-26(31-28(32)35-20-21-10-4-3-5-11-21)24-13-7-6-12-22(24)18-30(25)15-8-9-16-30/h3-7,10-13,23H,8-9,14-20H2,1-2H3
InChIKey	ISTAJESRXIHYPZ-UHFFFAOYSA-N Google Search
Mol Weight	486.7 g/mol
Molecular Formula	C30H34N2O2S
Exact Mass	486.2341 g/mol

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SpectraBase Spectrum ID	2JTFnVFzL9N
Name	2-(benzylthio)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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/C30H34N2O2S/c1-29(2)19-23(14-17-34-29)32-27(33)25-26(31-28(32)35-20-21-10-4-3-5-11-21)24-13-7-6-12-22(24)18-30(25)15-8-9-16-30/h3-7,10-13,23H,8-9,14-20H2,1-2H3
InChIKey	ISTAJESRXIHYPZ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_7589
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/10329377