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3-(2-methylallyl)-2-(phenethylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID L3QAKZGIhuJ
InChI InChI=1S/C28H30N2OS/c1-20(2)19-30-26(31)24-25(29-27(30)32-17-14-21-10-4-3-5-11-21)23-13-7-6-12-22(23)18-28(24)15-8-9-16-28/h3-7,10-13H,1,8-9,14-19H2,2H3
InChIKey IJNUEJIBNAPDNG-UHFFFAOYSA-N
Mol Weight 442.62 g/mol
Molecular Formula C28H30N2OS
Exact Mass 442.207885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7KAkXq72XgQ
Name 3-(2-methylallyl)-2-(phenethylthio)-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/C28H30N2OS/c1-20(2)19-30-26(31)24-25(29-27(30)32-17-14-21-10-4-3-5-11-21)23-13-7-6-12-22(23)18-28(24)15-8-9-16-28/h3-7,10-13H,1,8-9,14-19H2,2H3
InChIKey IJNUEJIBNAPDNG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7249
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/12238579