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1-(4-Bromophenyl)-5-Cyanomethyl-3-(4-methoxy-phenyl)pyrazole

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-(4-Bromophenyl)-5-Cyanomethyl-3-(4-methoxy-phenyl)pyrazole
SpectraBase Compound ID IxP7NynytK5
InChI InChI=1S/C18H14BrN3O/c1-23-17-8-2-13(3-9-17)18-12-16(10-11-20)22(21-18)15-6-4-14(19)5-7-15/h2-9,12H,10H2,1H3
InChIKey RDNJRPWFBLSONE-UHFFFAOYSA-N
Mol Weight 368.23 g/mol
Molecular Formula C18H14BrN3O
Exact Mass 367.032025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfvC5JzljDq
Name 1-(4-Bromophenyl)-5-cyanomethyl-3-(4-methoxyphenyl)pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 367.032025082 u
Formula C18H14BrN3O
InChI InChI=1S/C18H14BrN3O/c1-23-17-8-2-13(3-9-17)18-12-16(10-11-20)22(21-18)15-6-4-14(19)5-7-15/h2-9,12H,10H2,1H3
InChIKey RDNJRPWFBLSONE-UHFFFAOYSA-N
Molecular Weight 368.234 g/mol
SMILES C1(=CC(C2=CC=C(C=C2)OC)=NN1C1=CC=C(C=C1)Br)CC#N