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3-(2-methylallyl)-2-((2-oxo-2-phenylethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID EeAlu2tTQBt
InChI InChI=1S/C28H28N2O2S/c1-19(2)17-30-26(32)24-25(29-27(30)33-18-23(31)20-10-4-3-5-11-20)22-13-7-6-12-21(22)16-28(24)14-8-9-15-28/h3-7,10-13H,1,8-9,14-18H2,2H3
InChIKey OKCKVANWUBAZAF-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H28N2O2S
Exact Mass 456.187149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2XtM5XbrJrw
Name 3-(2-methylallyl)-2-((2-oxo-2-phenylethyl)thio)-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/C28H28N2O2S/c1-19(2)17-30-26(32)24-25(29-27(30)33-18-23(31)20-10-4-3-5-11-20)22-13-7-6-12-21(22)16-28(24)14-8-9-15-28/h3-7,10-13H,1,8-9,14-18H2,2H3
InChIKey OKCKVANWUBAZAF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7250
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/12238581