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[1,2,4]triazolo[4,3-c]quinazoline, 5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3-(4-nitrophenyl)-

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[1,2,4]triazolo[4,3-c]quinazoline, 5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-3-(4-nitrophenyl)-
SpectraBase Compound ID IIYvDNLvJk5
InChI InChI=1S/C26H23N5O2S/c1-26(2,3)19-12-8-17(9-13-19)16-34-25-27-22-7-5-4-6-21(22)24-29-28-23(30(24)25)18-10-14-20(15-11-18)31(32)33/h4-15H,16H2,1-3H3
InChIKey FBEXWCCFDZBRSX-UHFFFAOYSA-N
Mol Weight 469.56 g/mol
Molecular Formula C26H23N5O2S
Exact Mass 469.157246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5S4Qqa3y6zO
Name [1,2,4]triazolo[4,3-c]quinazoline, 5-[[[4-(1,1-dimethylethyl)phenyl]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/C26H23N5O2S/c1-26(2,3)19-12-8-17(9-13-19)16-34-25-27-22-7-5-4-6-21(22)24-29-28-23(30(24)25)18-10-14-20(15-11-18)31(32)33/h4-15H,16H2,1-3H3
InChIKey FBEXWCCFDZBRSX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6246
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/11308587