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3-(cyclohexylmethyl)-2-(phenethylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID BK5xTypAv2w
InChI InChI=1S/C31H36N2OS/c34-29-27-28(26-16-8-7-15-25(26)21-31(27)18-9-10-19-31)32-30(33(29)22-24-13-5-2-6-14-24)35-20-17-23-11-3-1-4-12-23/h1,3-4,7-8,11-12,15-16,24H,2,5-6,9-10,13-14,17-22H2
InChIKey AADHIXIJOLQJHJ-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C31H36N2OS
Exact Mass 484.254835 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L1fv7X1CFGL
Name 3-(cyclohexylmethyl)-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/C31H36N2OS/c34-29-27-28(26-16-8-7-15-25(26)21-31(27)18-9-10-19-31)32-30(33(29)22-24-13-5-2-6-14-24)35-20-17-23-11-3-1-4-12-23/h1,3-4,7-8,11-12,15-16,24H,2,5-6,9-10,13-14,17-22H2
InChIKey AADHIXIJOLQJHJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7206
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/12238513