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N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-2-ethoxy-1-naphthamide

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N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-2-ethoxy-1-naphthamide
SpectraBase Compound ID HxAuO80VJRM
InChI InChI=1S/C23H19Cl2N3O2/c1-2-30-21-10-8-15-5-3-4-6-19(15)22(21)23(29)27-18-12-26-28(14-18)13-16-7-9-17(24)11-20(16)25/h3-12,14H,2,13H2,1H3,(H,27,29)
InChIKey BEKUMCZNDCDDDN-UHFFFAOYSA-N
Mol Weight 440.33 g/mol
Molecular Formula C23H19Cl2N3O2
Exact Mass 439.085432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aacXypvBYO
Name N-[1-(2,4-Dichlorobenzyl)-1H-pyrazol-4-yl]-2-ethoxy-1-naphthamide
Comments Computed using HOSE algorithm
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Exact Mass 439.085432262 u
Formula C23H19Cl2N3O2
InChI InChI=1S/C23H19Cl2N3O2/c1-2-30-21-10-8-15-5-3-4-6-19(15)22(21)23(29)27-18-12-26-28(14-18)13-16-7-9-17(24)11-20(16)25/h3-12,14H,2,13H2,1H3,(H,27,29)
InChIKey BEKUMCZNDCDDDN-UHFFFAOYSA-N
Molecular Weight 440.330 g/mol
SMILES N(C1=CN(N=C1)CC1=C(C=C(C=C1)Cl)Cl)C(C=1C=2C(=CC=CC2)C=CC1OCC)=O