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[1,2,4]triazolo[1,5-c]quinazoline, 5-[[(4-chlorophenyl)methyl]thio]-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-
SpectraBase Compound ID Gx7WPnzprY5
InChI InChI=1S/C23H21ClN6S/c1-14-18(15(2)28-27-14)11-12-21-26-22-19-5-3-4-6-20(19)25-23(30(22)29-21)31-13-16-7-9-17(24)10-8-16/h3-10H,11-13H2,1-2H3,(H,27,28)
InChIKey SETBCWUWGWFMNC-UHFFFAOYSA-N
Mol Weight 448.98 g/mol
Molecular Formula C23H21ClN6S
Exact Mass 448.123694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HecKcvcCEuC
Name [1,2,4]triazolo[1,5-c]quinazoline, 5-[[(4-chlorophenyl)methyl]thio]-2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.123693574 u
Formula C23H21ClN6S
InChI InChI=1S/C23H21ClN6S/c1-14-18(15(2)28-27-14)11-12-21-26-22-19-5-3-4-6-20(19)25-23(30(22)29-21)31-13-16-7-9-17(24)10-8-16/h3-10H,11-13H2,1-2H3,(H,27,28)
InChIKey SETBCWUWGWFMNC-UHFFFAOYSA-N
Molecular Weight 448.976 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4231
Solvent DMSO-d6
Source Vendor ID: NMR/13279756