3-METHYL-1-PHENYLPYRAZOLE(1128-54-7) 13C NMR
Product Name3-METHYL-1-PHENYLPYRAZOLE
CAS1128-54-7
Molecular FormulaC10H10N2
Molecular Weight158.2
InChIInChI=1S/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey RJXLUGSJEMSDPK-UHFFFAOYSA-N
SmilesN1(C2=CC=CC=C2)C=CC(C)=N1
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MassMS-IW-0984 3-methyl-1-phenylpyrazole C10H10N2 (Mass of molecular ion: 158)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 1.5 50.0 1.3 51.0 7.8 52.0 1.3 54.0 1.2 55.0 2.2 63.0 1.5 64.0 1.5 65.0 1.2 77.0 20.1 78.0 3.3 79.0 2.2 81.0 2.5 89.0 3.9 90.0 8.8 91.0 2.3 103.0 1.3 104.0 3.1 115.0 1.0 116.0 3.1 117.0 5.0 118.0 1.8 129.0 1.1 130.0 17.0 131.0 2.7 132.0 1.2 142.0 1.9 143.0 1.7 156.0 2.6 157.0 47.9 158.0 100.0 159.0 11.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H10 N2 0.037 g : 0.5 ml CDCl3 3-methyl-1-phenylpyrazole 
Assign. Shift(ppm)
A 7.789 B 7.636 C 7.405 D 7.230 E 6.226 F 2.373
Hz ppm Int.3114.26 7.793 170 3111.94 7.787 174 3057.62 7.651 175 3056.40 7.648 217 3054.44 7.643 69 3050.78 7.634 75 3049.93 7.632 126 3048.83 7.629 234 3047.85 7.627 226 3045.65 7.621 39 2969.73 7.431 38 2967.90 7.427 161 2965.70 7.421 64 2962.40 7.413 45 2960.45 7.408 220 2959.47 7.406 183 2953.74 7.391 68 2951.78 7.386 177 2949.83 7.382 33 2895.87 7.247 66 2894.65 7.243 99 2893.55 7.241 59 2888.79 7.229 54 2887.33 7.225 145 2885.86 7.221 55 2880.98 7.209 39 2879.88 7.207 67 2878.78 7.204 40 2489.75 6.230 165 2487.30 6.224 167 948.49 2.374 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
