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N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-N'-(3,4-dichlorophenyl)urea

View entire compound with spectra: 2 NMR

N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-N'-(3,4-dichlorophenyl)urea
SpectraBase Compound ID GO7N7lnWxH6
InChI InChI=1S/C17H12Cl4N4O/c18-11-2-1-10(15(20)5-11)8-25-9-13(7-22-25)24-17(26)23-12-3-4-14(19)16(21)6-12/h1-7,9H,8H2,(H2,23,24,26)
InChIKey JOYVNWDCFOZHSM-UHFFFAOYSA-N
Mol Weight 430.1 g/mol
Molecular Formula C17H12Cl4N4O
Exact Mass 427.976522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5AvllT2hxh
Name N-[1-(2,4-Dichlorobenzyl)-1H-pyrazol-4-yl]-N'-(3,4-dichlorophenyl)urea
Comments Computed using HOSE algorithm
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Exact Mass 427.976521821 u
Formula C17H12Cl4N4O
InChI InChI=1S/C17H12Cl4N4O/c18-11-2-1-10(15(20)5-11)8-25-9-13(7-22-25)24-17(26)23-12-3-4-14(19)16(21)6-12/h1-7,9H,8H2,(H2,23,24,26)
InChIKey JOYVNWDCFOZHSM-UHFFFAOYSA-N
Molecular Weight 430.122 g/mol
SMILES N(C(=O)NC1=CN(N=C1)CC1=C(C=C(C=C1)Cl)Cl)C=1C=C(Cl)C(=CC1)Cl