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2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide
SpectraBase Compound ID C4T1EqHNnI0
InChI InChI=1S/C28H26N6O5S/c1-5-24(27(35)29-18-8-6-7-16(2)13-18)40-28-30-21-15-23(39-4)22(38-3)14-20(21)26-31-25(32-33(26)28)17-9-11-19(12-10-17)34(36)37/h6-15,24H,5H2,1-4H3,(H,29,35)
InChIKey DPXVDFYCXKETAX-UHFFFAOYSA-N
Mol Weight 558.61 g/mol
Molecular Formula C28H26N6O5S
Exact Mass 558.168539 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HwimTJw4P5z
Name 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(3-methylphenyl)butanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.168539130 u
Formula C28H26N6O5S
InChI InChI=1S/C28H26N6O5S/c1-5-24(27(35)29-18-8-6-7-16(2)13-18)40-28-30-21-15-23(39-4)22(38-3)14-20(21)26-31-25(32-33(26)28)17-9-11-19(12-10-17)34(36)37/h6-15,24H,5H2,1-4H3,(H,29,35)
InChIKey DPXVDFYCXKETAX-UHFFFAOYSA-N
Molecular Weight 558.613 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7058
Solvent DMSO-d6
Source Vendor ID: NMR/12329573