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3-(cyclohexylmethyl)-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID I5lLR8gCkqi
InChI InChI=1S/C25H32N2OS/c1-29-24-26-22-20-13-7-6-12-19(20)16-25(14-8-3-9-15-25)21(22)23(28)27(24)17-18-10-4-2-5-11-18/h6-7,12-13,18H,2-5,8-11,14-17H2,1H3
InChIKey XDBXCTTYLRGZOT-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H32N2OS
Exact Mass 408.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CILhVZ8mGsb
Name 3-(cyclohexylmethyl)-2-(methylthio)-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/C25H32N2OS/c1-29-24-26-22-20-13-7-6-12-19(20)16-25(14-8-3-9-15-25)21(22)23(28)27(24)17-18-10-4-2-5-11-18/h6-7,12-13,18H,2-5,8-11,14-17H2,1H3
InChIKey XDBXCTTYLRGZOT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7578
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/10329362