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1003-29-8

Pyrrole-2-carboxaldehyde

Product Name Pyrrole-2-carboxaldehyde

CAS1003-29-8

MFC5H5NO

MW95.1

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  • 1003-29-8_ms
    Mass

    MS-IW-8125          
    2-pyrrolecarbaldehyde
    C5H5NO              (Mass of molecular ion:     95)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       7.4
          29.0       2.5
          33.5       1.6
          37.0       4.9
          38.0       8.8
          39.0      27.0
          40.0       8.1
          41.0       6.7
          44.0       1.9
          50.0       1.4
          51.0       1.3
          52.0       1.4
          64.0       1.6
          65.0       1.8
          66.0      53.5
          67.0       4.2
          73.0       1.5
          94.0      67.5
          95.0     100.0
          96.0       7.0
    

parameter in acetone

90 MHz in CDCl3

  • 1003-29-8_1hnmr

    1H NMR 300 MHz
    C5 H5 N O 0.40 g : 0.75 ml acetone
    2-pyrrolecarbaldehyde
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.028 D(B) 6.308 D(C) 7.235 D(D) 9.570 D(E) 11.409 J(A,B) 3.84 J(A,C) 1.48 J(A,D) 0.0 J(A,E) 2.53 J(B,C) 2.37 J(B,D) 0.0 J(B,E) 2.49 J(C,D) 1.13 J(C,E) 2.95 J(D,E) -0.31 SHIMOKAWA,S. ET AL. MOL.PHYS. 19, 695 (1970)

         Hz     ppm     Int.
    

       3426.71  11.422    231
       3424.04  11.413    585
       3421.42  11.405    594
       3418.75  11.396    234
       2871.56   9.572   1000
       2870.51   9.568    964
       2174.46   7.248    161
       2173.08   7.244    260
       2171.93   7.240    356
       2170.60   7.235    405
       2169.22   7.231    368
       2167.93   7.226    270
       2166.59   7.222    167
       2112.35   7.041    284
       2110.87   7.036    306
       2109.87   7.033    331
       2108.44   7.028    542
       2107.01   7.023    330
       2106.01   7.020    325
       2104.53   7.015    281
       1896.74   6.322    279
       1894.31   6.314    535
       1892.88   6.310    334
       1891.93   6.306    336
       1890.50   6.302    525
       1888.07   6.294    265
    

  • 1003-29-8_1hnmr_2

    1H NMR 89.56 MHz
    C5 H5 N O 0.05 ml : 0.5 ml CDCl3
    2-pyrrolecarbaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.8 B 9.504 C 7.185 D 7.012 E 6.342 J(D,E)=3.9HZ J(C,D)=1.4HZ J(A,D)=2.4HZ J(C,E)=2.3HZ J(A,E)=2.3HZ

         Hz     ppm     Int.
    

        851.67   9.510    981
        850.82   9.501   1000
        647.71   7.233    174
        646.42   7.218    293
        645.23   7.205    377
        643.86   7.190    433
        643.52   7.186    437
        642.24   7.172    402
        641.04   7.158    322
        639.76   7.144    207
        631.98   7.057    302
        630.62   7.042    323
        629.59   7.030    371
        628.14   7.014    572
        626.77   6.999    373
        625.74   6.987    393
        624.29   6.971    302
        572.25   6.390    283
        569.95   6.364    517
        568.41   6.347    359
        567.55   6.338    372
        566.10   6.321    463
        563.71   6.295    245
    

in CDCl3

  • 1003-29-8_13cnmr

KBr disc

  • 1003-29-8_ir1_2

nujol mull

  • 1003-29-8_ir2

  • 1003-29-8_raman