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3-(4-methoxyphenyl)-2-(phenethylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 7w0X0NJ6G6H
InChI InChI=1S/C31H30N2O2S/c1-35-25-15-13-24(14-16-25)33-29(34)27-28(32-30(33)36-20-17-22-9-3-2-4-10-22)26-12-6-5-11-23(26)21-31(27)18-7-8-19-31/h2-6,9-16H,7-8,17-21H2,1H3
InChIKey FHACQGMATJDPRD-UHFFFAOYSA-N
Mol Weight 494.65 g/mol
Molecular Formula C31H30N2O2S
Exact Mass 494.202799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8OTWWNTzu44
Name 3-(4-methoxyphenyl)-2-(phenethylthio)-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/C31H30N2O2S/c1-35-25-15-13-24(14-16-25)33-29(34)27-28(32-30(33)36-20-17-22-9-3-2-4-10-22)26-12-6-5-11-23(26)21-31(27)18-7-8-19-31/h2-6,9-16H,7-8,17-21H2,1H3
InChIKey FHACQGMATJDPRD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10940
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/8028017; Labnumber: MMA14-0734; UZI_ID: UZI-010942
Temperature 318 °C