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2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID D4iwRX970Xe
InChI InChI=1S/C32H29ClN2O3S/c1-38-25-15-13-24(14-16-25)35-30(37)28-29(34-31(35)39-20-27(36)21-9-11-23(33)12-10-21)26-8-4-3-7-22(26)19-32(28)17-5-2-6-18-32/h3-4,7-16H,2,5-6,17-20H2,1H3
InChIKey QTAKUUUQHFZAKL-UHFFFAOYSA-N
Mol Weight 557.1 g/mol
Molecular Formula C32H29ClN2O3S
Exact Mass 556.158742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IaaRxOxsr9P
Name 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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/C32H29ClN2O3S/c1-38-25-15-13-24(14-16-25)35-30(37)28-29(34-31(35)39-20-27(36)21-9-11-23(33)12-10-21)26-8-4-3-7-22(26)19-32(28)17-5-2-6-18-32/h3-4,7-16H,2,5-6,17-20H2,1H3
InChIKey QTAKUUUQHFZAKL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10936
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/8030816; Labnumber: MMA14-0706; UZI_ID: UZI-010938
Temperature 318 °C