3-BROMOPENTANE(1809-10-5) ¹³C NMR

Product Name3-BROMOPENTANE

CAS 1809-10-5

Molecular FormulaC5H11Br

Molecular Weight151.04

InChIInChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3

InChIKey VTOQFOCYBTVOJZ-UHFFFAOYSA-N

SmilesCCC(Br)CC

Request For Quotation

Mass

MS-IW-0053          
3-bromopentane
C5H11Br             (Mass of molecular ion:    150)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0       9.7
      28.0       1.4
      29.0      14.3
      39.0       9.5
      40.0       1.3
      41.0      23.2
      42.0       7.1
      43.0      85.7
      44.0       3.1
      53.0       1.8
      55.0      14.5
      56.0       1.0
      69.0       1.1
      70.0       2.0
      71.0     100.0
      72.0       5.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ Br	0.05 ml : 0.5 ml CDCl₃
3-bromopentane

    Assign.     Shift(ppm)

      A             3.938
      B             1.84
      C             1.04

     Hz     ppm     Int.

    359.44   4.014     55
    358.63   4.005     59
    352.75   3.939    105
    346.88   3.874     63
    346.00   3.864     65
    180.50   2.016     59
    179.63   2.006     59
    174.69   1.951     83
    172.56   1.927    263
    166.38   1.858    255
    165.38   1.847    361
    160.50   1.793    116
    159.06   1.777    283
    155.88   1.741     60
    154.63   1.727     36
    152.13   1.699    161
    149.19   1.666     37
     99.81   1.115    544
     92.94   1.038   1000
     85.44   0.954    341
     84.63   0.945    207

in CDCl3