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2-(isopentylthio)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

View entire compound with spectra: 1 NMR

2-(isopentylthio)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 7Z3CtlSSZPW
InChI InChI=1S/C29H34N2O2S/c1-20(2)15-18-34-28-30-26-24-10-6-5-9-21(24)19-29(16-7-4-8-17-29)25(26)27(32)31(28)22-11-13-23(33-3)14-12-22/h5-6,9-14,20H,4,7-8,15-19H2,1-3H3
InChIKey KZCVBMMLEXFACB-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C29H34N2O2S
Exact Mass 474.2341 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IZw3agjOPy9
Name 2-(isopentylthio)-3-(4-methoxyphenyl)-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/C29H34N2O2S/c1-20(2)15-18-34-28-30-26-24-10-6-5-9-21(24)19-29(16-7-4-8-17-29)25(26)27(32)31(28)22-11-13-23(33-3)14-12-22/h5-6,9-14,20H,4,7-8,15-19H2,1-3H3
InChIKey KZCVBMMLEXFACB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7254
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/12238587