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3-allyl-2-(benzylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
SpectraBase Compound ID 9R1krOk2le9
InChI InChI=1S/C27H28N2OS/c1-2-17-29-25(30)23-24(28-26(29)31-19-20-11-5-3-6-12-20)22-14-8-7-13-21(22)18-27(23)15-9-4-10-16-27/h2-3,5-8,11-14H,1,4,9-10,15-19H2
InChIKey KSEGLGJSSBNJML-UHFFFAOYSA-N
Mol Weight 428.59 g/mol
Molecular Formula C27H28N2OS
Exact Mass 428.192235 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9mp3drO9ldH
Name 3-allyl-2-(benzylthio)-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/C27H28N2OS/c1-2-17-29-25(30)23-24(28-26(29)31-19-20-11-5-3-6-12-20)22-14-8-7-13-21(22)18-27(23)15-9-4-10-16-27/h2-3,5-8,11-14H,1,4,9-10,15-19H2
InChIKey KSEGLGJSSBNJML-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7170
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/12238458