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3-phenethyl-2-(prop-2-yn-1-ylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID GOMP47VkKKF
InChI InChI=1S/C27H26N2OS/c1-2-18-31-26-28-24-22-13-7-6-12-21(22)19-27(15-8-9-16-27)23(24)25(30)29(26)17-14-20-10-4-3-5-11-20/h1,3-7,10-13H,8-9,14-19H2
InChIKey RKTQAEYXBXWLHU-UHFFFAOYSA-N
Mol Weight 426.58 g/mol
Molecular Formula C27H26N2OS
Exact Mass 426.176585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LAeG0JPqy8b
Name 3-phenethyl-2-(prop-2-yn-1-ylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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/C27H26N2OS/c1-2-18-31-26-28-24-22-13-7-6-12-21(22)19-27(15-8-9-16-27)23(24)25(30)29(26)17-14-20-10-4-3-5-11-20/h1,3-7,10-13H,8-9,14-19H2
InChIKey RKTQAEYXBXWLHU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7193
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: NMR/12238493