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2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 222osSX4Xgv
InChI InChI=1S/C25H23ClN2O2S/c1-28-23(30)21-22(19-7-3-2-6-17(19)14-25(21)12-4-5-13-25)27-24(28)31-15-20(29)16-8-10-18(26)11-9-16/h2-3,6-11H,4-5,12-15H2,1H3
InChIKey OKYPPUIWMIREGP-UHFFFAOYSA-N
Mol Weight 450.98 g/mol
Molecular Formula C25H23ClN2O2S
Exact Mass 450.116877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IV7FIKtiIb3
Name 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H23ClN2O2S/c1-28-23(30)21-22(19-7-3-2-6-17(19)14-25(21)12-4-5-13-25)27-24(28)31-15-20(29)16-8-10-18(26)11-9-16/h2-3,6-11H,4-5,12-15H2,1H3
InChIKey OKYPPUIWMIREGP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7160
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/12238443