1-CHLORO-3-METHYLBUTANE(107-84-6) MS

Product Name1-CHLORO-3-METHYLBUTANE

CAS 107-84-6

Molecular FormulaC5H11Cl

Molecular Weight106.59

InChIInChI=1S/C5H11Cl/c1-5(2)3-4-6/h5H,3-4H2,1-2H3

InChIKey CZHLPWNZCJEPJB-UHFFFAOYSA-N

SmilesC(Cl)CC(C)C

Request For Quotation

Mass

MS-NW-1111          
1-chloro-3-methylbutane
C5H11Cl             (Mass of molecular ion:    106)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.4
      26.0       2.0
      27.0      21.3
      28.0       4.6
      29.0      19.1
      32.0       1.0
      38.0       1.4
      39.0      14.0
      40.0       2.0
      41.0      39.2
      42.0      35.5
      43.0     100.0
      44.0       3.4
      49.0       1.7
      50.0       1.0
      51.0       1.5
      53.0       3.5
      54.0       1.1
      55.0      50.9
      56.0       7.1
      57.0      14.1
      59.0       1.2
      62.0       1.0
      63.0       4.1
      65.0       1.3
      69.0       6.4
      70.0      49.8
      71.0      10.3
      76.0       4.1
      77.0       7.5
      78.0       1.5
      79.0       2.5
      83.0       1.6
      84.0       1.5
      85.0       1.4
      90.0       1.1
      91.0       4.7
      93.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ Cl	0.04 ml : 0.5 ml CDCl₃
1-chloro-3-methylbutane

    Assign.     Shift(ppm)

      A             3.553
      B          2.02 to 1.41
      C             0.925

     Hz     ppm     Int.

    325.19   3.631    214
    318.38   3.555    363
    311.56   3.479    218
    157.44   1.758    118
    155.94   1.742    102
    155.44   1.736    110
    151.25   1.689    191
    148.81   1.662    102
    145.38   1.624    132
    144.31   1.612    161
    139.75   1.561    398
     85.50   0.955   1000
     83.06   0.928    136
     82.75   0.924    133
     82.31   0.920    129
     79.56   0.889    825

in CDCl3