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2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID LZX5SmejqGb
InChI InChI=1S/C30H25BrN2O2S/c31-22-14-12-20(13-15-22)25(34)19-36-29-32-27-24-11-5-4-8-21(24)18-30(16-6-7-17-30)26(27)28(35)33(29)23-9-2-1-3-10-23/h1-5,8-15H,6-7,16-19H2
InChIKey MGKAOWCGCCPJBL-UHFFFAOYSA-N
Mol Weight 557.51 g/mol
Molecular Formula C30H25BrN2O2S
Exact Mass 556.082012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7HbSS3AnkBu
Name 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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/C30H25BrN2O2S/c31-22-14-12-20(13-15-22)25(34)19-36-29-32-27-24-11-5-4-8-21(24)18-30(16-6-7-17-30)26(27)28(35)33(29)23-9-2-1-3-10-23/h1-5,8-15H,6-7,16-19H2
InChIKey MGKAOWCGCCPJBL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3459
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: 112169; Labnumber: AMIR-4476; VK_ID: VK-003460
Temperature 308 °C