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1H-pyrazole-1-propanamide, N-(2,5-dimethylphenyl)-3-[[(2,5-dimethylphenyl)amino]carbonyl]-
SpectraBase Compound ID InbsukyO9Ie
InChI InChI=1S/C23H26N4O2/c1-15-5-7-17(3)20(13-15)24-22(28)10-12-27-11-9-19(26-27)23(29)25-21-14-16(2)6-8-18(21)4/h5-9,11,13-14H,10,12H2,1-4H3,(H,24,28)(H,25,29)
InChIKey QELKRNOLZCKJSW-UHFFFAOYSA-N
Mol Weight 390.49 g/mol
Molecular Formula C23H26N4O2
Exact Mass 390.205576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvP7J15rR89
Name 1H-Pyrazole-1-propanamide, N-(2,5-dimethylphenyl)-3-[[(2,5-dimethylphenyl)amino]carbonyl]-
Comments Computed using HOSE algorithm
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Exact Mass 390.205576091 u
Formula C23H26N4O2
InChI InChI=1S/C23H26N4O2/c1-15-5-7-17(3)20(13-15)24-22(28)10-12-27-11-9-19(26-27)23(29)25-21-14-16(2)6-8-18(21)4/h5-9,11,13-14H,10,12H2,1-4H3,(H,24,28)(H,25,29)
InChIKey QELKRNOLZCKJSW-UHFFFAOYSA-N
Molecular Weight 390.487 g/mol
SMILES N(C1=C(C=CC(=C1)C)C)C(CCN1N=C(C=C1)C(=O)NC=1C=C(C)C=CC1C)=O