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3-cyclohexyl-2-((2-methylallyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 3g4A85FCRSS
InChI InChI=1S/C27H34N2OS/c1-19(2)18-31-26-28-24-22-14-8-7-11-20(22)17-27(15-9-4-10-16-27)23(24)25(30)29(26)21-12-5-3-6-13-21/h7-8,11,14,21H,1,3-6,9-10,12-13,15-18H2,2H3
InChIKey OGBCOTWFFJMYAK-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C27H34N2OS
Exact Mass 434.239185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ku7LKaIm3x8
Name 3-cyclohexyl-2-((2-methylallyl)thio)-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/C27H34N2OS/c1-19(2)18-31-26-28-24-22-14-8-7-11-20(22)17-27(15-9-4-10-16-27)23(24)25(30)29(26)21-12-5-3-6-13-21/h7-8,11,14,21H,1,3-6,9-10,12-13,15-18H2,2H3
InChIKey OGBCOTWFFJMYAK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7253
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/12238586