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2-(butylthio)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID Byb4GofX7U8
InChI InChI=1S/C27H36N2OS/c1-2-3-18-31-26-28-24-22-15-9-8-12-20(22)19-27(16-10-5-11-17-27)23(24)25(30)29(26)21-13-6-4-7-14-21/h8-9,12,15,21H,2-7,10-11,13-14,16-19H2,1H3
InChIKey SZJDJPBYKYDPKI-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H36N2OS
Exact Mass 436.254835 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IM0ueLB0QQ3
Name 2-(butylthio)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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/C27H36N2OS/c1-2-3-18-31-26-28-24-22-15-9-8-12-20(22)19-27(16-10-5-11-17-27)23(24)25(30)29(26)21-13-6-4-7-14-21/h8-9,12,15,21H,2-7,10-11,13-14,16-19H2,1H3
InChIKey SZJDJPBYKYDPKI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7146
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/12238425