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

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2-(hexylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID IpAmHW1UMvl
InChI InChI=1S/C30H36N2OS/c1-3-4-5-11-20-34-29-31-27-25-13-8-7-12-23(25)21-30(18-9-6-10-19-30)26(27)28(33)32(29)24-16-14-22(2)15-17-24/h7-8,12-17H,3-6,9-11,18-21H2,1-2H3
InChIKey GKSBGYVUKSTPSA-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H36N2OS
Exact Mass 472.254835 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9CMuU0tFW04
Name 2-(hexylthio)-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/C30H36N2OS/c1-3-4-5-11-20-34-29-31-27-25-13-8-7-12-23(25)21-30(18-9-6-10-19-30)26(27)28(33)32(29)24-16-14-22(2)15-17-24/h7-8,12-17H,3-6,9-11,18-21H2,1-2H3
InChIKey GKSBGYVUKSTPSA-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3497
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: 112222; Labnumber: AMIR-4571; VK_ID: VK-003498
Temperature 308 °C