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2-(benzylthio)-3-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID GBJoOxkhqYp
InChI InChI=1S/C25H26N2OS/c1-2-27-23(28)21-22(26-24(27)29-17-18-10-4-3-5-11-18)20-13-7-6-12-19(20)16-25(21)14-8-9-15-25/h3-7,10-13H,2,8-9,14-17H2,1H3
InChIKey LTBLRTDDAUDWDY-UHFFFAOYSA-N
Mol Weight 402.56 g/mol
Molecular Formula C25H26N2OS
Exact Mass 402.176585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 30RTkVz2QAI
Name 2-(benzylthio)-3-ethyl-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/C25H26N2OS/c1-2-27-23(28)21-22(26-24(27)29-17-18-10-4-3-5-11-18)20-13-7-6-12-19(20)16-25(21)14-8-9-15-25/h3-7,10-13H,2,8-9,14-17H2,1H3
InChIKey LTBLRTDDAUDWDY-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5441
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: UZI/8160108; UBI_ID: UBI-005443
Temperature 308 °C