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2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID EgueK5fazey
InChI InChI=1S/C27H27BrN2O2S/c1-2-30-25(32)23-24(29-26(30)33-17-22(31)18-10-12-20(28)13-11-18)21-9-5-4-8-19(21)16-27(23)14-6-3-7-15-27/h4-5,8-13H,2-3,6-7,14-17H2,1H3
InChIKey IARDFHLWCBBRCE-UHFFFAOYSA-N
Mol Weight 523.49 g/mol
Molecular Formula C27H27BrN2O2S
Exact Mass 522.097662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7rDqRSQMnL0
Name 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-ethyl-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/C27H27BrN2O2S/c1-2-30-25(32)23-24(29-26(30)33-17-22(31)18-10-12-20(28)13-11-18)21-9-5-4-8-19(21)16-27(23)14-6-3-7-15-27/h4-5,8-13H,2-3,6-7,14-17H2,1H3
InChIKey IARDFHLWCBBRCE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7231
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/12238555