3-ACETYL-1-METHYLPYRROLE(932-62-7) Raman
Product Name3-ACETYL-1-METHYLPYRROLE
CAS932-62-7
Molecular FormulaC7H9NO
Molecular Weight123.15
InChIInChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3
InChIKey SZYIVZGXCXFXDN-UHFFFAOYSA-N
SmilesC(=O)(C1C=CN(C)C=1)C
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MassMS-NW-8532 3-acetyl-1-methylpyrrole C7H9NO (Mass of molecular ion: 123)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 5.8 26.0 1.1 27.0 4.7 28.0 3.7 37.0 1.7 38.0 5.0 39.0 26.8 40.0 1.7 41.0 2.5 42.0 12.4 43.0 8.4 44.0 1.2 50.0 4.4 51.0 6.5 52.0 6.3 53.0 24.5 54.0 3.3 63.0 1.0 64.0 1.4 65.0 1.6 66.0 1.2 67.0 4.6 78.0 1.2 79.0 1.9 80.0 15.7 81.0 2.3 93.0 2.0 94.0 2.0 108.0 100.0 109.0 7.0 123.0 38.7 124.0 3.2
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H9 N O 0.05 ml : 0.5 ml CDCl3 3-acetyl-1-methylpyrrole 
Assign. Shift(ppm)
A 7.225 B 6.57 C 6.54 D 3.661 E 2.355 J(B,C)=3.1HZ
Hz ppm Int.649.00 7.247 78 648.88 7.246 78 647.13 7.226 137 645.31 7.206 83 591.44 6.604 34 591.25 6.602 34 588.44 6.571 264 586.44 6.549 278 327.94 3.662 828 211.00 2.356 1000
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1H NMR 399.65 MHz C7 H9 N O 0.05 ml : 0.5 ml CDCl3 3-acetyl-1-methylpyrrole Assign. Shift(ppm)
A 7.236 B 6.571 C 6.547 D 3.652 E 2.349 J(A,B)=2.1HZ J(A,C)=1.7HZ J(B,C)=2.9HZ
Hz ppm Int.2894.04 7.242 125 2891.97 7.237 206 2890.14 7.232 127 2629.15 6.579 107 2626.22 6.572 186 2624.15 6.567 168 2618.53 6.553 194 2616.82 6.548 199 2615.60 6.545 138 2613.89 6.541 125 1459.72 3.653 824 939.09 2.350 1000
in CDCl3
liquid film
