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2-((4-oxo-3-phenethyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile
SpectraBase Compound ID IzXI204f4qn
InChI InChI=1S/C27H27N3OS/c28-16-18-32-26-29-24-22-12-6-5-11-21(22)19-27(14-7-2-8-15-27)23(24)25(31)30(26)17-13-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-15,17-19H2
InChIKey KUJYAGWKVLBMSY-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C27H27N3OS
Exact Mass 441.187484 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ER03l5sBXu9
Name 2-((4-oxo-3-phenethyl-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/C27H27N3OS/c28-16-18-32-26-29-24-22-12-6-5-11-21(22)19-27(14-7-2-8-15-27)23(24)25(31)30(26)17-13-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-15,17-19H2
InChIKey KUJYAGWKVLBMSY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7198
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/12238499