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3-phenethyl-2-(propylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 2XJiUqMh59h
InChI InChI=1S/C28H32N2OS/c1-2-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-4-10-17-28)24(25)26(31)30(27)18-15-21-11-5-3-6-12-21/h3,5-8,11-14H,2,4,9-10,15-20H2,1H3
InChIKey WISPATAWFVYPAO-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C28H32N2OS
Exact Mass 444.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L2XQzWhaFwE
Name 3-phenethyl-2-(propylthio)-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/C28H32N2OS/c1-2-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-4-10-17-28)24(25)26(31)30(27)18-15-21-11-5-3-6-12-21/h3,5-8,11-14H,2,4,9-10,15-20H2,1H3
InChIKey WISPATAWFVYPAO-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3500
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: 112227; Labnumber: AMIR-4579; VK_ID: VK-003501
Temperature 308 °C