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2-(hexylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 90Ogku2pByR
InChI InChI=1S/C31H38N2OS/c1-2-3-4-13-22-35-30-32-28-26-17-10-9-16-25(26)23-31(19-11-6-12-20-31)27(28)29(34)33(30)21-18-24-14-7-5-8-15-24/h5,7-10,14-17H,2-4,6,11-13,18-23H2,1H3
InChIKey YWZKLUNXGCTYTL-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H38N2OS
Exact Mass 486.270485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CtiUHL3pbrb
Name 2-(hexylthio)-3-phenethyl-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/C31H38N2OS/c1-2-3-4-13-22-35-30-32-28-26-17-10-9-16-25(26)23-31(19-11-6-12-20-31)27(28)29(34)33(30)21-18-24-14-7-5-8-15-24/h5,7-10,14-17H,2-4,6,11-13,18-23H2,1H3
InChIKey YWZKLUNXGCTYTL-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3503
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: 112230; Labnumber: AMIR-4582; VK_ID: VK-003504
Temperature 308 °C