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2-((butylthio)methyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
SpectraBase Compound ID EX3fjDiIhWL
InChI InChI=1S/C21H26N2OS/c1-2-3-12-25-14-17-22-19-16-9-5-4-8-15(16)13-21(10-6-7-11-21)18(19)20(24)23-17/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,22,23,24)
InChIKey LDHQDFOGNADUKO-UHFFFAOYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C21H26N2OS
Exact Mass 354.176585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5JUQM3nTVcW
Name 2-((butylthio)methyl)-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/C21H26N2OS/c1-2-3-12-25-14-17-22-19-16-9-5-4-8-15(16)13-21(10-6-7-11-21)18(19)20(24)23-17/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,22,23,24)
InChIKey LDHQDFOGNADUKO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7158
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/12238438