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2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID IPIIhDflYhh
InChI InChI=1S/C26H25ClN2O2S/c1-29-24(31)22-23(28-25(29)32-16-21(30)17-9-11-19(27)12-10-17)20-8-4-3-7-18(20)15-26(22)13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKey ZNRWGTFPVUWZMZ-UHFFFAOYSA-N
Mol Weight 465.01 g/mol
Molecular Formula C26H25ClN2O2S
Exact Mass 464.132527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5WMksh6TD3w
Name 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-methyl-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/C26H25ClN2O2S/c1-29-24(31)22-23(28-25(29)32-16-21(30)17-9-11-19(27)12-10-17)20-8-4-3-7-18(20)15-26(22)13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKey ZNRWGTFPVUWZMZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10937
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: UZI/8029110; Labnumber: MMA14-0707; UZI_ID: UZI-010939
Temperature 318 °C