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ethanone, 1-(4-chlorophenyl)-2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-
SpectraBase Compound ID 4rgBqA7j7XH
InChI InChI=1S/C24H21ClN6OS/c1-14-18(15(2)29-28-14)11-12-22-27-23-19-5-3-4-6-20(19)26-24(31(23)30-22)33-13-21(32)16-7-9-17(25)10-8-16/h3-10H,11-13H2,1-2H3,(H,28,29)
InChIKey HIFLHTOHHUQLII-UHFFFAOYSA-N
Mol Weight 476.99 g/mol
Molecular Formula C24H21ClN6OS
Exact Mass 476.118608 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L9uePC3O3YQ
Name ethanone, 1-(4-chlorophenyl)-2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.118608193 u
Formula C24H21ClN6OS
InChI InChI=1S/C24H21ClN6OS/c1-14-18(15(2)29-28-14)11-12-22-27-23-19-5-3-4-6-20(19)26-24(31(23)30-22)33-13-21(32)16-7-9-17(25)10-8-16/h3-10H,11-13H2,1-2H3,(H,28,29)
InChIKey HIFLHTOHHUQLII-UHFFFAOYSA-N
Molecular Weight 476.986 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4260
Solvent DMSO-d6
Source Vendor ID: NMR/13279787