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Pyrrole-2-carboxaldehyde

Product Name Pyrrole-2-carboxaldehyde

CAS1003-29-8

MFC5H5NO

MW95.1

¹³CNMR

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

¹H NMR	300 MHz
C₅ H₅ N O	0.40 g : 0.75 ml acetone
2-pyrrolecarbaldehyde

    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

¹H NMR	89.56 MHz
C₅ H₅ N O	0.05 ml : 0.5 ml CDCl₃
2-pyrrolecarbaldehyde

    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

KBr disc

nujol mull

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