2-((4-oxo-3-(p-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetonitrile

SpectraBase Compound ID	4UVF1JwkUzK
InChI	InChI=1S/C25H23N3OS/c1-17-8-10-19(11-9-17)28-23(29)21-22(27-24(28)30-15-14-26)20-7-3-2-6-18(20)16-25(21)12-4-5-13-25/h2-3,6-11H,4-5,12-13,15-16H2,1H3
InChIKey	CXUBOGDFPBIABP-UHFFFAOYSA-N Google Search
Mol Weight	413.54 g/mol
Molecular Formula	C25H23N3OS
Exact Mass	413.156184 g/mol

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SpectraBase Spectrum ID	KgWzXLeBxCp
Name	2-((4-oxo-3-(p-tolyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetonitrile
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/C25H23N3OS/c1-17-8-10-19(11-9-17)28-23(29)21-22(27-24(28)30-15-14-26)20-7-3-2-6-18(20)16-25(21)12-4-5-13-25/h2-3,6-11H,4-5,12-13,15-16H2,1H3
InChIKey	CXUBOGDFPBIABP-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_10944
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: UZI/8025841; Labnumber: MMA14-0748; UZI_ID: UZI-010946
Temperature	318 °C