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butanamide, 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[(4-methylphenyl)methyl]-

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butanamide, 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[(4-methylphenyl)methyl]-
SpectraBase Compound ID IKuuyieOsf9
InChI InChI=1S/C28H31N7OS/c1-5-24(27(36)29-16-20-12-10-17(2)11-13-20)37-28-30-23-9-7-6-8-22(23)26-31-25(34-35(26)28)15-14-21-18(3)32-33-19(21)4/h6-13,24H,5,14-16H2,1-4H3,(H,29,36)(H,32,33)
InChIKey XBNJNFWIOKFRRP-UHFFFAOYSA-N
Mol Weight 513.66 g/mol
Molecular Formula C28H31N7OS
Exact Mass 513.23108 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kd0PNgxWZ97
Name butanamide, 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[(4-methylphenyl)methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.231079819 u
Formula C28H31N7OS
InChI InChI=1S/C28H31N7OS/c1-5-24(27(36)29-16-20-12-10-17(2)11-13-20)37-28-30-23-9-7-6-8-22(23)26-31-25(34-35(26)28)15-14-21-18(3)32-33-19(21)4/h6-13,24H,5,14-16H2,1-4H3,(H,29,36)(H,32,33)
InChIKey XBNJNFWIOKFRRP-UHFFFAOYSA-N
Molecular Weight 513.664 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4245
Solvent DMSO-d6
Source Vendor ID: NMR/13279770