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3-phenyl-2-(prop-2-yn-1-ylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID nCmwReGRV2
InChI InChI=1S/C25H22N2OS/c1-2-16-29-24-26-22-20-13-7-6-10-18(20)17-25(14-8-9-15-25)21(22)23(28)27(24)19-11-4-3-5-12-19/h1,3-7,10-13H,8-9,14-17H2
InChIKey MMFNDIQWESXMTL-UHFFFAOYSA-N
Mol Weight 398.52 g/mol
Molecular Formula C25H22N2OS
Exact Mass 398.145285 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7TVacIT8qeE
Name 3-phenyl-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/C25H22N2OS/c1-2-16-29-24-26-22-20-13-7-6-10-18(20)17-25(14-8-9-15-25)21(22)23(28)27(24)19-11-4-3-5-12-19/h1,3-7,10-13H,8-9,14-17H2
InChIKey MMFNDIQWESXMTL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7165
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/12238449