DIANTIPYRYLMETHANE(1251-85-0) IR1
Product NameDIANTIPYRYLMETHANE
CAS1251-85-0
Molecular FormulaC23H24N4O2
Molecular Weight388.46
InChIInChI=1S/C23H24N4O2/c1-16-20(22(28)26(24(16)3)18-11-7-5-8-12-18)15-21-17(2)25(4)27(23(21)29)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3
InChIKey QATHNKNPUVVKHK-UHFFFAOYSA-N
SmilesC(C1=C(C)N(C)N(C2=CC=CC=C2)C1=O)C1=C(C)N(C)N(C2=CC=CC=C2)C1=O
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MassMS-NW-7217 4,4'-methylenebis(2,3-dimethyl-1-phenyl-3-pyrazolin-5-one) C23H24N4O2 H2O (Mass of molecular ion: 388)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 2.3 17.0 2.0 18.0 9.8 27.0 1.2 28.0 2.4 29.0 1.2 39.0 3.1 41.0 2.2 42.0 5.1 43.0 1.7 51.0 4.2 52.0 1.2 53.0 2.9 54.0 1.2 55.0 3.3 56.0 100.0 57.0 4.0 63.0 1.3 64.0 1.8 65.0 4.1 66.0 1.9 67.0 3.0 68.0 2.6 77.0 15.4 78.0 2.2 79.0 1.4 80.0 1.7 81.0 1.6 82.0 3.3 91.0 3.9 92.0 2.1 93.0 3.3 94.0 1.8 96.0 2.2 104.0 1.7 105.0 2.2 106.0 3.3 107.0 1.3 108.0 1.8 118.0 2.9 119.0 2.2 120.0 3.0 121.0 1.6 122.0 2.5 130.0 1.3 131.0 1.3 132.0 1.1 133.0 1.2 134.0 1.6 135.0 1.9 136.0 1.1 144.0 1.2 147.0 1.8 148.0 2.7 149.0 2.3 150.0 1.1 163.0 1.0 165.0 2.8 166.0 1.0 171.0 1.1 172.0 1.1 175.0 1.2 176.0 5.1 177.0 63.6 178.0 9.3 179.0 1.1 180.0 1.5 185.0 5.0 186.0 1.5 187.0 1.0 188.0 1.9 189.0 1.1 194.0 7.0 194.5 2.0 197.0 1.2 199.0 1.1 200.0 8.8 201.0 25.8 202.0 4.5 203.0 1.4 211.0 1.3 213.0 3.4 214.0 3.0 225.0 1.5 227.0 1.2 237.0 2.0 238.0 1.2 239.0 5.1 240.0 6.6 241.0 11.5 242.0 2.2 253.0 1.0 254.0 5.3 255.0 1.4 265.0 1.2 267.0 3.2 268.0 12.9 269.0 26.6 270.0 5.4 280.0 1.0 294.0 1.3 296.0 14.0 297.0 3.0 332.0 2.4 358.0 1.4 373.0 3.4 374.0 1.0 387.0 3.8 388.0 44.0 389.0 11.7 390.0 2.2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C23 H24 N4 O2 0.039 g : 0.5 ml CDCl3 4,4'-methylenebis(2,3-dimethyl-1-phenyl-3-pyrazolin-5-one) 
Assign. Shift(ppm)
A 7.417 B 7.382 C 7.234 D 3.271 E 2.988 F 2.441
Hz ppm Int.2974.24 7.443 62 2972.41 7.438 31 2967.53 7.426 92 2965.94 7.422 192 2964.60 7.418 49 2961.18 7.410 52 2958.98 7.404 183 2954.22 7.393 225 2952.39 7.388 246 2950.07 7.382 45 2947.39 7.375 42 2945.56 7.371 105 2944.70 7.369 54 2943.97 7.367 64 2899.29 7.255 40 2897.71 7.251 63 2896.12 7.247 35 2892.46 7.238 47 2891.97 7.237 48 2890.63 7.233 110 2889.65 7.231 43 2888.67 7.229 32 2885.25 7.220 31 2883.54 7.216 49 1307.50 3.272 209 1194.09 2.988 1000 975.83 2.442 844
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1H NMR 89.56 MHz C23 H24 N4 O2 0.039 g : 0.5 ml CDCl3 4,4'-methylenebis(2,3-dimethyl-1-phenyl-3-pyrazolin-5-one) Assign. Shift(ppm)
A 7.46 to 7.11 B 3.267 C 2.981 D 2.436
Hz ppm Int.666.31 7.440 80 665.75 7.434 79 664.38 7.419 171 662.38 7.396 113 660.69 7.378 644 658.69 7.355 83 657.19 7.338 62 655.56 7.320 53 654.94 7.313 52 653.88 7.302 73 652.31 7.284 55 651.44 7.274 59 649.44 7.252 52 647.88 7.235 38 645.38 7.207 40 643.69 7.188 32 292.69 3.269 155 267.06 2.982 1000 218.19 2.437 759
in CDCl3
KBr disc
nujol mull
