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2-((4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile
SpectraBase Compound ID HLApM31pTVn
InChI InChI=1S/C25H23N3OS/c26-15-16-30-24-27-22-20-12-6-5-9-18(20)17-25(13-7-2-8-14-25)21(22)23(29)28(24)19-10-3-1-4-11-19/h1,3-6,9-12H,2,7-8,13-14,16-17H2
InChIKey HLXRYSAESDMHOF-UHFFFAOYSA-N
Mol Weight 413.54 g/mol
Molecular Formula C25H23N3OS
Exact Mass 413.156184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQnZRlHD8uH
Name 2-((4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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/c26-15-16-30-24-27-22-20-12-6-5-9-18(20)17-25(13-7-2-8-14-25)21(22)23(29)28(24)19-10-3-1-4-11-19/h1,3-6,9-12H,2,7-8,13-14,16-17H2
InChIKey HLXRYSAESDMHOF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10934
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/8029285; Labnumber: MMA14-0699; UZI_ID: UZI-010936
Temperature 318 °C