1-Chloroheptane(629-06-1) MS

Product Name1-Chloroheptane

CAS 629-06-1

Molecular FormulaC7H15Cl

Molecular Weight134.65

InChIInChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3

InChIKey DZMDPHNGKBEVRE-UHFFFAOYSA-N

SmilesC(Cl)CCCCCC

Request For Quotation

Mass

MS-NW-4685          
1-chloroheptane
C7H15Cl             (Mass of molecular ion:    134)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.2
      26.0       1.7
      27.0      24.3
      28.0       2.9
      29.0      33.0
      36.0       1.3
      39.0      16.3
      40.0       3.1
      41.0      70.5
      42.0      23.7
      43.0      73.4
      44.0       2.5
      49.0       2.9
      51.0       1.3
      53.0       3.6
      54.0       3.5
      55.0      57.2
      56.0      43.2
      57.0      31.0
      58.0       1.5
      63.0       5.2
      65.0       1.7
      67.0       1.7
      68.0       2.8
      69.0      46.0
      70.0      20.4
      71.0       4.6
      77.0       1.2
      83.0       2.8
      85.0       1.0
      91.0     100.0
      92.0       5.0
      93.0      31.8
      94.0       1.7
      98.0       1.2
     105.0       7.5
     107.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₅ Cl	0.04 ml : 0.5 ml CDCl₃
1-chloroheptane

    Assign.     Shift(ppm)

      A             0.89
      B          1.18 to 1.56
      C             1.77
      D             3.52

     Hz     ppm     Int.

    322.25   3.599    383
    320.63   3.581     46
    320.44   3.578     46
    315.69   3.525   1000
    313.75   3.504     58
    309.00   3.451    590
    307.63   3.435     41
    307.25   3.431     35
    165.13   1.844     91
    158.19   1.767    161
    152.13   1.699    134
    139.63   1.560     51
    118.06   1.319    919
     85.00   0.950    207
     79.56   0.889    781
     73.50   0.821    151

in CDCl3