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2-(pentylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID JpD3D2onXES
InChI InChI=1S/C28H32N2OS/c1-3-4-9-18-32-27-29-25-23-11-6-5-10-21(23)19-28(16-7-8-17-28)24(25)26(31)30(27)22-14-12-20(2)13-15-22/h5-6,10-15H,3-4,7-9,16-19H2,1-2H3
InChIKey CGJVNYGHSPJSGP-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 76OU4pb0aJ2
Name 2-(pentylthio)-3-(p-tolyl)-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/C28H32N2OS/c1-3-4-9-18-32-27-29-25-23-11-6-5-10-21(23)19-28(16-7-8-17-28)24(25)26(31)30(27)22-14-12-20(2)13-15-22/h5-6,10-15H,3-4,7-9,16-19H2,1-2H3
InChIKey CGJVNYGHSPJSGP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3462
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: 112172; Labnumber: AMIR-4480; VK_ID: VK-003463
Temperature 308 °C