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3-benzyl-2-(propylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 2zh3cKjNmen
InChI InChI=1S/C27H30N2OS/c1-2-17-31-26-28-24-22-14-8-7-13-21(22)18-27(15-9-4-10-16-27)23(24)25(30)29(26)19-20-11-5-3-6-12-20/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3
InChIKey BFUXOXVQHOIVJX-UHFFFAOYSA-N
Mol Weight 430.61 g/mol
Molecular Formula C27H30N2OS
Exact Mass 430.207885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GX94iiN0oNT
Name 3-benzyl-2-(propylthio)-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/C27H30N2OS/c1-2-17-31-26-28-24-22-14-8-7-13-21(22)18-27(15-9-4-10-16-27)23(24)25(30)29(26)19-20-11-5-3-6-12-20/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3
InChIKey BFUXOXVQHOIVJX-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3493
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: 112214; Labnumber: AMIR-4558; VK_ID: VK-003494
Temperature 308 °C