5-Amino-3-methyl-1-phenylpyrazole(1131-18-6) 13C NMR
Product Name5-Amino-3-methyl-1-phenylpyrazole
CAS1131-18-6
Molecular FormulaC10H11N3
Molecular Weight173.21
InChIInChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,11H2,1H3
InChIKey FMKMKBLHMONXJM-UHFFFAOYSA-N
SmilesN1(C2=CC=CC=C2)C(N)=CC(C)=N1
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MassMS-IW-6471 3-methyl-1-phenyl-5-pyrazolamine C10H11N3 (Mass of molecular ion: 173)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
28.0 1.0 39.0 2.0 41.0 2.0 42.0 1.4 43.0 2.8 51.0 3.2 52.0 1.0 64.0 1.5 65.0 1.9 66.0 1.8 77.0 9.3 78.0 2.0 86.5 1.6 91.0 3.5 92.0 7.0 93.0 1.5 104.0 5.8 105.0 1.5 118.0 2.6 119.0 2.0 129.0 1.5 130.0 6.8 131.0 7.0 132.0 2.9 145.0 5.4 155.0 9.3 156.0 4.8 157.0 3.0 158.0 1.1 172.0 29.5 173.0 100.0 174.0 12.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H11 N3 0.041 g : 0.5 ml CDCl3 3-methyl-1-phenyl-5-pyrazolamine 
Assign. Shift(ppm)
A 7.518 B 7.433 C 7.299 D 5.413 E 3.8 F 2.216
Hz ppm Int.3010.74 7.534 135 3009.40 7.531 167 3007.45 7.526 54 3004.03 7.517 79 3003.17 7.515 130 3002.08 7.512 228 3000.98 7.510 223 2998.78 7.504 34 2979.74 7.456 37 2978.15 7.452 146 2975.95 7.447 52 2972.66 7.439 48 2970.58 7.433 208 2969.12 7.430 104 2964.11 7.417 59 2962.28 7.413 129 2924.93 7.319 51 2923.71 7.316 88 2922.36 7.313 50 2917.97 7.302 47 2916.26 7.298 115 2914.55 7.293 39 2910.16 7.282 33 2908.94 7.279 54 2907.59 7.276 32 2163.70 5.414 321 1519.90 3.804 31 886.11 2.218 1000
in CDCl3
KBr disc
nujol mull
