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2-((benzylthio)methyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID GOGFN4gUDI9
InChI InChI=1S/C25H26N2OS/c28-24-22-23(26-21(27-24)17-29-16-18-9-3-1-4-10-18)20-12-6-5-11-19(20)15-25(22)13-7-2-8-14-25/h1,3-6,9-12H,2,7-8,13-17H2,(H,26,27,28)
InChIKey RPBHSHBPLYXRCF-UHFFFAOYSA-N
Mol Weight 402.56 g/mol
Molecular Formula C25H26N2OS
Exact Mass 402.176585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LhXUOHb5IaE
Name 2-((benzylthio)methyl)-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/C25H26N2OS/c28-24-22-23(26-21(27-24)17-29-16-18-9-3-1-4-10-18)20-12-6-5-11-19(20)15-25(22)13-7-2-8-14-25/h1,3-6,9-12H,2,7-8,13-17H2,(H,26,27,28)
InChIKey RPBHSHBPLYXRCF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_361
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: S00299AE41-088; Labnumber: S00299AE41-088; VK_ID: VK-000362
Temperature 313 °C