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2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide
SpectraBase Compound ID IQvLfRIlaAs
InChI InChI=1S/C28H31N7O4S/c1-6-39-22-10-8-7-9-20(22)29-26(36)16-40-28-30-21-15-24(38-5)23(37-4)14-19(21)27-31-25(33-35(27)28)11-12-34-18(3)13-17(2)32-34/h7-10,13-15H,6,11-12,16H2,1-5H3,(H,29,36)
InChIKey JPDQNOFXSQHHSK-UHFFFAOYSA-N
Mol Weight 561.66 g/mol
Molecular Formula C28H31N7O4S
Exact Mass 561.215824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4HSBR5ic373
Name 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)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 561.215823676 u
Formula C28H31N7O4S
InChI InChI=1S/C28H31N7O4S/c1-6-39-22-10-8-7-9-20(22)29-26(36)16-40-28-30-21-15-24(38-5)23(37-4)14-19(21)27-31-25(33-35(27)28)11-12-34-18(3)13-17(2)32-34/h7-10,13-15H,6,11-12,16H2,1-5H3,(H,29,36)
InChIKey JPDQNOFXSQHHSK-UHFFFAOYSA-N
Molecular Weight 561.661 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7090
Solvent DMSO-d6
Source Vendor ID: NMR/12329617