Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>1072-83-9More Spectrum> 2-Acetyl pyrrole(1072-83-9) IR2

2-Acetyl pyrrole(1072-83-9) IR2

Product Name2-Acetyl pyrrole

CAS1072-83-9

Molecular FormulaC6H7NO

Molecular Weight109.13

InChIInChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3

InChIKey IGJQUJNPMOYEJY-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=CN1)C


  • Mass

    MS-NW-2270          
    2-acetylpyrrole
    C6H7NO              (Mass of molecular ion:    109)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       3.3
          18.0       1.3
          26.0       1.1
          27.0       2.9
          28.0       5.5
          37.0       3.1
          38.0       6.8
          39.0      24.3
          40.0       5.9
          41.0       3.9
          42.0       1.3
          43.0       9.3
          50.0       1.6
          51.0       2.2
          52.0       2.3
          53.0       4.9
          63.0       1.0
          64.0       1.8
          65.0       2.4
          66.0      49.2
          67.0       6.0
          80.0       2.5
          93.0       1.1
          94.0     100.0
          95.0       6.0
         109.0      79.6
         110.0       5.8
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H7 N O 0.047 g : 0.5 ml CDCl3
    2-acetylpyrrole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10. B 7.06 C 6.927 D 6.257 E 2.444

         Hz     ppm     Int.
    

        635.88   7.101     36
        634.50   7.085     48
        633.00   7.068     59
        632.00   7.057     68
        630.44   7.040     45
        629.06   7.024     45
        624.25   6.971     40
        622.88   6.955     39
        621.81   6.943     48
        620.44   6.928     75
        619.06   6.913     47
        618.00   6.901     51
        616.63   6.886     38
        564.56   6.304     39
        562.13   6.277     74
        560.75   6.262     47
        559.75   6.251     48
        558.31   6.234     67
        555.88   6.207     33
        218.88   2.444   1000
        216.38   2.417     55
    

in CDCl3



CCl4 solution



KBr disc



nujol mull





2-Acetyl pyrrole(1072-83-9) IR2 Atlas of Related Products

×