3-BROMOBUTYRONITRILE(20965-20-2) ¹H NMR

Product Name3-BROMOBUTYRONITRILE

CAS 20965-20-2

Molecular FormulaC4H6BrN

Molecular Weight148

InChIInChI=1S/C4H6BrN/c1-4(5)2-3-6/h4H,2H2,1H3

InChIKey MBXSHBIQMDKTEW-UHFFFAOYSA-N

SmilesC(#N)CC(Br)C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5488          
3-bromobutyronitrile
C4H6BrN             (Mass of molecular ion:    147)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       2.3
      27.0      14.3
      28.0       2.3
      37.0       2.4
      38.0       3.4
      39.0      12.9
      40.0       4.9
      41.0      71.0
      42.0       4.8
      51.0       1.0
      52.0       4.4
      64.0       1.8
      66.0       5.1
      67.0       6.1
      68.0     100.0
      69.0       5.8
      79.0       1.6
      80.0       3.8
      81.0       1.7
      82.0       3.8
     107.0       8.8
     109.0       8.1
     147.0      17.2
     148.0       1.5
     149.0      16.8
     150.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₆ Br N	0.05 ml : 0.5 ml CDCl₃
3-bromobutyronitrile

    Assign.     Shift(ppm)

      A             4.287
      B     *1      2.98
      C     *1      2.97
      D             1.828

     Hz     ppm     Int.

   1729.49   4.328     32
   1722.78   4.311    107
   1716.80   4.296    209
   1710.08   4.279    203
   1704.10   4.264    122
   1697.39   4.248     36
   1191.65   2.982    762
   1185.79   2.968    681
   1180.79   2.955     25
    734.01   1.837   1000
    727.05   1.820    963
    718.87   1.799     20

in CDCl3