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2-((4-oxo-3-phenethyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetonitrile
SpectraBase Compound ID Ik3p0uUX4ag
InChI InChI=1S/C26H25N3OS/c27-15-17-31-25-28-23-21-11-5-4-10-20(21)18-26(13-6-7-14-26)22(23)24(30)29(25)16-12-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-14,16-18H2
InChIKey BLNQBDIUJVBYSK-UHFFFAOYSA-N
Mol Weight 427.57 g/mol
Molecular Formula C26H25N3OS
Exact Mass 427.171834 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H6gHOYaZpGZ
Name 2-((4-oxo-3-phenethyl-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/C26H25N3OS/c27-15-17-31-25-28-23-21-11-5-4-10-20(21)18-26(13-6-7-14-26)22(23)24(30)29(25)16-12-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-14,16-18H2
InChIKey BLNQBDIUJVBYSK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7192
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/12238492