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[1,3]dioxolo[4,5-g]quinazoline-7-hexanamide, N-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-8-oxo-6-thioxo-
SpectraBase Compound ID GfQtWkKe96M
InChI InChI=1S/C22H22ClN3O4S/c23-16-7-4-3-6-14(16)12-24-20(27)8-2-1-5-9-26-21(28)15-10-18-19(30-13-29-18)11-17(15)25-22(26)31/h3-4,6-7,10-11H,1-2,5,8-9,12-13H2,(H,24,27)(H,25,31)
InChIKey CRCXLQSIYYFYSM-UHFFFAOYSA-N
Mol Weight 459.95 g/mol
Molecular Formula C22H22ClN3O4S
Exact Mass 459.101955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BFzri3YS3zJ
Name [1,3]dioxolo[4,5-g]quinazoline-7-hexanamide, N-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-8-oxo-6-thioxo-
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/C22H22ClN3O4S/c23-16-7-4-3-6-14(16)12-24-20(27)8-2-1-5-9-26-21(28)15-10-18-19(30-13-29-18)11-17(15)25-22(26)31/h3-4,6-7,10-11H,1-2,5,8-9,12-13H2,(H,24,27)(H,25,31)
InChIKey CRCXLQSIYYFYSM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6605
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/11328963