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1-(2-methylbenzyl)-3,5-bis(4-methylphenyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

1-(2-methylbenzyl)-3,5-bis(4-methylphenyl)-1H-pyrazole
SpectraBase Compound ID L081aqkd5RU
InChI InChI=1S/C25H24N2/c1-18-8-12-21(13-9-18)24-16-25(22-14-10-19(2)11-15-22)27(26-24)17-23-7-5-4-6-20(23)3/h4-16H,17H2,1-3H3
InChIKey DCTNLIICLBEOOZ-UHFFFAOYSA-N
Mol Weight 352.48 g/mol
Molecular Formula C25H24N2
Exact Mass 352.193949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tI3PFmDeEO
Name 1-(2-Methylbenzyl)-3,5-bis(4-methylphenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 352.193948781 u
Formula C25H24N2
InChI InChI=1S/C25H24N2/c1-18-8-12-21(13-9-18)24-16-25(22-14-10-19(2)11-15-22)27(26-24)17-23-7-5-4-6-20(23)3/h4-16H,17H2,1-3H3
InChIKey DCTNLIICLBEOOZ-UHFFFAOYSA-N
Molecular Weight 352.481 g/mol
SMILES C1=CC=C(CN2N=C(C3=CC=C(C=C3)C)C=C2C=2C=CC(=CC2)C)C(C)=C1