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[1,2,4]triazolo[4,3-c]quinazoline, 5-[[(3-chlorophenyl)methyl]thio]-3-(4-nitrophenyl)-
SpectraBase Compound ID 4aBr80cebYh
InChI InChI=1S/C22H14ClN5O2S/c23-16-5-3-4-14(12-16)13-31-22-24-19-7-2-1-6-18(19)21-26-25-20(27(21)22)15-8-10-17(11-9-15)28(29)30/h1-12H,13H2
InChIKey QLVKSLKKKWLOQI-UHFFFAOYSA-N
Mol Weight 447.9 g/mol
Molecular Formula C22H14ClN5O2S
Exact Mass 447.055674 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G0BsGcTUXX
Name [1,2,4]triazolo[4,3-c]quinazoline, 5-[[(3-chlorophenyl)methyl]thio]-3-(4-nitrophenyl)-
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/C22H14ClN5O2S/c23-16-5-3-4-14(12-16)13-31-22-24-19-7-2-1-6-18(19)21-26-25-20(27(21)22)15-8-10-17(11-9-15)28(29)30/h1-12H,13H2
InChIKey QLVKSLKKKWLOQI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6232
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/11308566