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2-(benzylthio)-3-cyclohexyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 6kY7WkZ13NJ
InChI InChI=1S/C29H32N2OS/c32-27-25-26(24-16-8-7-13-22(24)19-29(25)17-9-10-18-29)30-28(31(27)23-14-5-2-6-15-23)33-20-21-11-3-1-4-12-21/h1,3-4,7-8,11-13,16,23H,2,5-6,9-10,14-15,17-20H2
InChIKey QVIHYMCZOFAIKB-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C29H32N2OS
Exact Mass 456.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AmfSnWrqSQG
Name 2-(benzylthio)-3-cyclohexyl-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/C29H32N2OS/c32-27-25-26(24-16-8-7-13-22(24)19-29(25)17-9-10-18-29)30-28(31(27)23-14-5-2-6-15-23)33-20-21-11-3-1-4-12-21/h1,3-4,7-8,11-13,16,23H,2,5-6,9-10,14-15,17-20H2
InChIKey QVIHYMCZOFAIKB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7187
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/12238479