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

View entire compound with spectra: 2 NMR

N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-2-naphthalenesulfonamide
SpectraBase Compound ID LNleAYqRNM1
InChI InChI=1S/C20H15Cl2N3O2S/c21-17-7-5-16(20(22)10-17)12-25-13-18(11-23-25)24-28(26,27)19-8-6-14-3-1-2-4-15(14)9-19/h1-11,13,24H,12H2
InChIKey XYBILMJGISFSRB-UHFFFAOYSA-N
Mol Weight 432.33 g/mol
Molecular Formula C20H15Cl2N3O2S
Exact Mass 431.026203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KK8DUNGwHhJ
Name N-[1-(2,4-Dichlorobenzyl)-1H-pyrazol-4-yl]-2-naphthalenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 431.026203307 u
Formula C20H15Cl2N3O2S
InChI InChI=1S/C20H15Cl2N3O2S/c21-17-7-5-16(20(22)10-17)12-25-13-18(11-23-25)24-28(26,27)19-8-6-14-3-1-2-4-15(14)9-19/h1-11,13,24H,12H2
InChIKey XYBILMJGISFSRB-UHFFFAOYSA-N
Molecular Weight 432.325 g/mol
SMILES N(C1=CN(CC2=C(C=C(C=C2)Cl)Cl)N=C1)S(C=1C=C2C=CC=CC2=CC1)(=O)=O