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[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one, 6-[[(2-chloro-6-fluorophenyl)methyl]thio]-7-[2-(1-cyclohexen-1-yl)ethyl]-
SpectraBase Compound ID 3gLdR8Nj6At
InChI InChI=1S/C24H22ClFN2O3S/c25-18-7-4-8-19(26)17(18)13-32-24-27-20-12-22-21(30-14-31-22)11-16(20)23(29)28(24)10-9-15-5-2-1-3-6-15/h4-5,7-8,11-12H,1-3,6,9-10,13-14H2
InChIKey MLNHPDUUHKYHGP-UHFFFAOYSA-N
Mol Weight 472.96 g/mol
Molecular Formula C24H22ClFN2O3S
Exact Mass 472.10237 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GA9bTHLvUDX
Name [1,3]dioxolo[4,5-g]quinazolin-8(7H)-one, 6-[[(2-chloro-6-fluorophenyl)methyl]thio]-7-[2-(1-cyclohexen-1-yl)ethyl]-
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/C24H22ClFN2O3S/c25-18-7-4-8-19(26)17(18)13-32-24-27-20-12-22-21(30-14-31-22)11-16(20)23(29)28(24)10-9-15-5-2-1-3-6-15/h4-5,7-8,11-12H,1-3,6,9-10,13-14H2
InChIKey MLNHPDUUHKYHGP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6681
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/11328270