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2-(pentylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

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2-(pentylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID JMFlb6Ebq3G
InChI InChI=1S/C29H34N2OS/c1-3-4-10-19-33-28-30-26-24-12-7-6-11-22(24)20-29(17-8-5-9-18-29)25(26)27(32)31(28)23-15-13-21(2)14-16-23/h6-7,11-16H,3-5,8-10,17-20H2,1-2H3
InChIKey PNJUSIXVIUNUMB-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H34N2OS
Exact Mass 458.239185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BUMl1XOi8Eh
Name 2-(pentylthio)-3-(p-tolyl)-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/C29H34N2OS/c1-3-4-10-19-33-28-30-26-24-12-7-6-11-22(24)20-29(17-8-5-9-18-29)25(26)27(32)31(28)23-15-13-21(2)14-16-23/h6-7,11-16H,3-5,8-10,17-20H2,1-2H3
InChIKey PNJUSIXVIUNUMB-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3496
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: 112221; Labnumber: AMIR-4570; VK_ID: VK-003497
Temperature 308 °C