5414-21-1

5-BROMOVALERONITRILE(5414-21-1) ¹³C NMR

Product Name5-BROMOVALERONITRILE

CAS 5414-21-1

Molecular FormulaC5H8BrN

Molecular Weight162.03

InChIInChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2

InChIKey NWWWGAKVHCSAEU-UHFFFAOYSA-N

SmilesC(#N)CCCCBr

Request For Quotation

5-BROMOVALERONITRILE(5414-21-1) <sup>13</sup>C NMR
Mass

MS-IW-3657          
5-bromovaleronitrile
C5H8BrN             (Mass of molecular ion:    161)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       3.9
      27.0      16.7
      28.0       8.4
      29.0      10.8
      37.0       1.2
      38.0       2.5
      39.0      17.2
      40.0       3.1
      41.0      43.7
      42.0       3.1
      50.0       1.4
      51.0       2.8
      52.0       4.0
      53.0       7.7
      54.0     100.0
      55.0      84.8
      56.0       4.0
      59.0       1.3
      66.0       2.0
      68.0       2.8
      80.0       3.0
      81.0       1.0
      82.0      47.5
      83.0       3.0
      93.0       2.9
      95.0       2.7
     107.0       4.3
     109.0       3.8
     121.0       1.8
     123.0       1.0
     133.0       3.0
     135.0       3.8
     161.0       8.7
     163.0       8.4

400 MHz in CDCl3

5-BROMOVALERONITRILE(5414-21-1) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₅ H₈ Br N	0.05 ml : 0.5 ml CDCl₃
5-bromovaleronitrile

    Assign.     Shift(ppm)

      A             3.457
      B             2.419
      C             2.016
      D             1.838

     Hz     ppm     Int.

   1387.94   3.473    633
   1385.38   3.467     43
   1381.59   3.458    967
   1375.12   3.441    614
    977.66   2.447     35
    974.00   2.438    567
    971.31   2.431     44
    966.92   2.420   1000
    959.84   2.402    622
    820.43   2.053    100
    814.21   2.038    218
    813.23   2.035    252
    810.18   2.028    108
    807.01   2.020    275
    806.03   2.017    226
    805.05   2.015    197
    803.83   2.012    193
    800.54   2.004    141
    799.68   2.001    142
    798.58   1.999    344
    792.24   1.983    154
    749.15   1.875    135
    748.41   1.873    139
    743.29   1.860    111
    741.46   1.856    319
    736.33   1.843    155
    734.01   1.837    313
    729.61   1.826     91
    729.13   1.825     89
    726.81   1.819    228
    726.20   1.818    249
    719.73   1.801     75
    718.87   1.799     81

in CDCl3