4-ACETYL-5-METHYL-1-PHENYLPYRAZOLE(6123-63-3) IR2
Product Name4-ACETYL-5-METHYL-1-PHENYLPYRAZOLE
CAS6123-63-3
Molecular FormulaC12H12N2O
Molecular Weight200.24
InChIInChI=1S/C12H12N2O/c1-9-12(10(2)15)8-13-14(9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey FZEDJUVQMGBVRC-UHFFFAOYSA-N
SmilesC(=O)(C1=C(C)N(C2=CC=CC=C2)N=C1)C
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MassMS-IW-2758 4-acetyl-5-methyl-1-phenylpyrazole C12H12N2O (Mass of molecular ion: 200)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 2.0 43.0 3.6 50.0 1.4 51.0 7.0 52.0 1.1 63.0 1.0 65.0 1.5 77.0 15.5 78.0 2.1 89.0 1.7 91.0 1.4 92.5 1.6 100.0 1.1 103.0 1.8 116.0 2.3 118.0 3.2 128.0 1.2 130.0 2.5 142.0 1.2 145.0 1.1 156.0 1.0 157.0 1.7 185.0 100.0 186.0 12.9 200.0 46.9 201.0 6.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H12 N2 O 0.034 g : 0.5 ml DMSO-d6 4-acetyl-5-methyl-1-phenylpyrazole 
Assign. Shift(ppm)
A 8.252 B 7.57 C 7.55 D 7.53 E 2.512 F 2.454 THE SIGNAL E INCLUDES DMSO-D6 SIGNALS.
Hz ppm Int.3297.85 8.252 261 3038.33 7.603 32 3036.99 7.600 49 3031.01 7.585 90 3029.54 7.581 120 3028.08 7.577 93 3025.02 7.570 53 3022.58 7.564 189 3016.48 7.548 170 3014.77 7.544 273 3011.96 7.537 121 3010.99 7.535 86 3009.52 7.531 91 3007.93 7.527 111 3006.23 7.523 89 3003.66 7.516 93 2996.83 7.499 30 1003.91 2.512 896 980.96 2.455 1000
KBr disc
nujol mull
