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2-(benzylthio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID L3gqhxtkSPt
InChI InChI=1S/C28H30N2OS/c1-20(2)18-30-26(31)24-25(29-27(30)32-19-21-11-5-3-6-12-21)23-14-8-7-13-22(23)17-28(24)15-9-4-10-16-28/h3,5-8,11-14H,1,4,9-10,15-19H2,2H3
InChIKey BDOFOSZSFUNVLS-UHFFFAOYSA-N
Mol Weight 442.62 g/mol
Molecular Formula C28H30N2OS
Exact Mass 442.207885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DX2NCC5JXhi
Name 2-(benzylthio)-3-(2-methylallyl)-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/C28H30N2OS/c1-20(2)18-30-26(31)24-25(29-27(30)32-19-21-11-5-3-6-12-21)23-14-8-7-13-22(23)17-28(24)15-9-4-10-16-28/h3,5-8,11-14H,1,4,9-10,15-19H2,2H3
InChIKey BDOFOSZSFUNVLS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7229
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/12238552