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2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
SpectraBase Compound ID 3qEbCe7Uyqs
InChI InChI=1S/C28H26N6O5S/c1-16(2)17-5-9-19(10-6-17)29-25(35)15-40-28-30-22-14-24(39-4)23(38-3)13-21(22)27-31-26(32-33(27)28)18-7-11-20(12-8-18)34(36)37/h5-14,16H,15H2,1-4H3,(H,29,35)
InChIKey BFYLNSOVVALLTC-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 UzMlpujmwg
Name 2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
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/c1-16(2)17-5-9-19(10-6-17)29-25(35)15-40-28-30-22-14-24(39-4)23(38-3)13-21(22)27-31-26(32-33(27)28)18-7-11-20(12-8-18)34(36)37/h5-14,16H,15H2,1-4H3,(H,29,35)
InChIKey BFYLNSOVVALLTC-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_7059
Solvent DMSO-d6
Source Vendor ID: NMR/12329574