Phenidone(92-43-3) MS
Molecular FormulaC9H10N2O
Molecular Weight162.19
InChIInChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKey CMCWWLVWPDLCRM-UHFFFAOYSA-N
SmilesN1(C2=CC=CC=C2)CCC(=O)N1
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MassMS-NW-1726 1-phenyl-3-pyrazolidinone C9H10N2O (Mass of molecular ion: 162)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.0 18.0 1.4 26.0 3.1 27.0 12.4 28.0 10.3 29.0 5.5 37.0 1.5 38.0 3.8 39.0 9.2 40.0 1.4 41.0 2.0 42.0 1.9 43.0 1.7 50.0 10.2 51.0 35.1 52.0 6.6 53.0 1.1 55.0 11.9 56.0 1.4 62.0 1.4 63.0 5.2 64.0 5.9 65.0 7.8 66.0 1.9 74.0 2.7 75.0 2.0 76.0 3.0 77.0 93.5 78.0 12.3 79.0 6.3 90.0 1.3 91.0 15.5 92.0 19.2 93.0 4.4 104.0 5.2 105.0 26.5 106.0 21.8 107.0 38.0 108.0 11.3 117.0 1.2 118.0 1.8 119.0 12.4 120.0 6.2 133.0 1.5 160.0 2.4 161.0 4.5 162.0 100.0 163.0 10.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 N2 O 0.05 ml : 0.5 ml CDCl3 1-phenyl-3-pyrazolidinone 
Assign. Shift(ppm)
A 9.47 B 7.29 C 7.04 D 6.97 E 3.902 F 2.573
Hz ppm Int.848.25 9.472 256 663.31 7.407 155 662.25 7.395 225 660.25 7.373 128 657.56 7.343 165 656.00 7.325 318 654.56 7.309 462 653.81 7.301 423 653.44 7.297 434 647.50 7.230 630 644.75 7.200 141 633.31 7.072 859 632.31 7.061 996 629.13 7.025 297 628.25 7.015 285 626.13 6.992 581 624.31 6.971 477 620.50 6.929 132 619.25 6.915 145 618.00 6.901 78 358.06 3.998 422 354.56 3.959 69 350.00 3.908 920 346.69 3.872 61 346.00 3.864 65 342.13 3.821 551 237.81 2.656 559 235.06 2.625 68 229.88 2.567 1000 226.63 2.531 66 224.88 2.511 72 221.81 2.477 414
in CDCl3
CCl4 solution
KBr disc
nujol mull
