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3-cyclohexyl-2-(phenethylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 1vgHNa7bnd6
InChI InChI=1S/C30H34N2OS/c33-28-26-27(25-16-8-7-13-23(25)21-30(26)18-9-10-19-30)31-29(32(28)24-14-5-2-6-15-24)34-20-17-22-11-3-1-4-12-22/h1,3-4,7-8,11-13,16,24H,2,5-6,9-10,14-15,17-21H2
InChIKey FXRVGUHOIJDHOO-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C30H34N2OS
Exact Mass 470.239185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56cdmLxNJTW
Name 3-cyclohexyl-2-(phenethylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
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/C30H34N2OS/c33-28-26-27(25-16-8-7-13-23(25)21-30(26)18-9-10-19-30)31-29(32(28)24-14-5-2-6-15-24)34-20-17-22-11-3-1-4-12-22/h1,3-4,7-8,11-13,16,24H,2,5-6,9-10,14-15,17-21H2
InChIKey FXRVGUHOIJDHOO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7202
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/12238503