Product Name3-amino-1-phenyl-4,5-dihydropyrazolin-5-one
CAS28710-97-6
Molecular FormulaC9H9N3O
Molecular Weight175.19
InChIInChI=1S/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H,10H2
InChIKey PVKNQGWSRAGMNM-UHFFFAOYSA-N
SmilesN1C(N)=CC(=O)N1C1=CC=CC=C1
Mass
MS-NW-6183 3-amino-1-phenyl-2-pyrazolin-5-one C9H9N3O (Mass of molecular ion: 175)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 3.8 18.0 4.1 27.0 1.5 28.0 2.8 38.0 2.2 39.0 3.5 40.0 2.2 41.0 18.3 42.0 100.0 43.0 3.6 50.0 3.4 51.0 10.3 52.0 1.8 55.0 1.2 63.0 3.4 64.0 5.7 65.0 2.6 68.0 1.1 74.0 1.0 76.0 1.0 77.0 17.7 78.0 7.7 79.0 5.7 87.5 1.8 91.0 18.1 92.0 2.3 93.0 1.2 104.0 2.0 105.0 2.2 158.0 3.2 174.0 1.1 175.0 86.3 176.0 9.6
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C9 H9 N3 O | 0.038 g : 0.5 ml DMSO-d6 |
3-amino-1-phenyl-2-pyrazolin-5-one |
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Assign. Shift(ppm) |
Hz ppm Int.
3140.14 7.858 421 3132.45 7.838 442 2949.34 7.380 174 2947.51 7.376 740 2945.56 7.371 300 2940.19 7.357 1000 2938.84 7.354 924 2933.35 7.340 309 2931.40 7.335 768 2929.44 7.331 131 2833.13 7.090 289 2825.81 7.071 481 2818.36 7.053 224 2574.95 6.444 545 1466.06 3.669 32 1464.97 3.666 34 1439.33 3.602 451 1419.07 3.551 78
in DMSO-d6
KBr disc
nujol mull
3-amino-1-phenyl-4,5-dihydropyrazolin-5-one (28710-97-6) 13C NMR Atlas of Related Products
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