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2-((2-methylallyl)thio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID ARs9UT2Tzi9
InChI InChI=1S/C29H32N2OS/c1-21(2)20-33-28-30-26-24-14-8-7-13-23(24)19-29(16-9-4-10-17-29)25(26)27(32)31(28)18-15-22-11-5-3-6-12-22/h3,5-8,11-14H,1,4,9-10,15-20H2,2H3
InChIKey POAVYFHYJTVRTN-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C29H32N2OS
Exact Mass 456.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Q2TbmoMgK8
Name 2-((2-methylallyl)thio)-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/C29H32N2OS/c1-21(2)20-33-28-30-26-24-14-8-7-13-23(24)19-29(16-9-4-10-17-29)25(26)27(32)31(28)18-15-22-11-5-3-6-12-22/h3,5-8,11-14H,1,4,9-10,15-20H2,2H3
InChIKey POAVYFHYJTVRTN-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3504
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: 112231; Labnumber: AMIR-4583; VK_ID: VK-003505
Temperature 308 °C