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2-(butylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID 5agJjPPw9TX
InChI InChI=1S/C28H32N2OS/c1-2-3-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-10-17-28)24(25)26(31)30(27)18-15-21-11-5-4-6-12-21/h4-8,11-14H,2-3,9-10,15-20H2,1H3
InChIKey FOOUCMPIKCEWAX-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 AWjHpIfoMZX
Name 2-(butylthio)-3-phenethyl-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/C28H32N2OS/c1-2-3-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-10-17-28)24(25)26(31)30(27)18-15-21-11-5-4-6-12-21/h4-8,11-14H,2-3,9-10,15-20H2,1H3
InChIKey FOOUCMPIKCEWAX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4840
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: 112522; Labnumber: AMIR-5909; VK_ID: VK-004841
Temperature 308 °C