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2-(butylthio)-3-(p-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID ApfuO2ZbL11
InChI InChI=1S/C28H32N2OS/c1-3-4-18-32-27-29-25-23-11-7-6-10-21(23)19-28(16-8-5-9-17-28)24(25)26(31)30(27)22-14-12-20(2)13-15-22/h6-7,10-15H,3-5,8-9,16-19H2,1-2H3
InChIKey CNUKQXXRPLTYIQ-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C28H32N2OS
Exact Mass 444.223535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AxgfztrLBmU
Name 2-(butylthio)-3-(p-tolyl)-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/C28H32N2OS/c1-3-4-18-32-27-29-25-23-11-7-6-10-21(23)19-28(16-8-5-9-17-28)24(25)26(31)30(27)22-14-12-20(2)13-15-22/h6-7,10-15H,3-5,8-9,16-19H2,1-2H3
InChIKey CNUKQXXRPLTYIQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7150
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/12238430