NEOPENTYLBENZENE(1007-26-7) MS

Product NameNEOPENTYLBENZENE

CAS 1007-26-7

Molecular FormulaC11H16

Molecular Weight148.24

InChIInChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

InChIKey CJGXJKVMUHXVHL-UHFFFAOYSA-N

SmilesC1(CC(C)(C)C)=CC=CC=C1

Request For Quotation

Mass

MS-NW-8587          
neopentylbenzene
C11H16              (Mass of molecular ion:    148)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       2.8
      29.0      13.4
      39.0       7.2
      41.0      25.5
      42.0       1.1
      50.0       1.1
      51.0       3.8
      52.0       1.0
      53.0       1.2
      55.0       5.0
      56.0       2.9
      57.0      99.1
      57.5       1.4
      58.0       4.8
      63.0       2.5
      64.0       1.2
      65.0      11.0
      77.0       2.7
      78.0       1.4
      79.0       1.1
      89.0       2.2
      90.0       1.0
      91.0      56.5
      92.0     100.0
      93.0       7.6
     105.0       3.2
     115.0       3.5
     116.0       1.0
     117.0       2.5
     133.0      10.2
     134.0       1.1
     148.0      11.9
     149.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆	0.05 ml : 0.5 ml CDCl₃
neopentylbenzene

    Assign.     Shift(ppm)

      A          7.22 to 7.15
      B             2.480
      C             0.896

     Hz     ppm     Int.

    649.81   7.256     25
    649.19   7.249     23
    646.44   7.218     73
    644.19   7.193    101
    640.31   7.150     90
    637.25   7.116     30
    636.31   7.105     30
    222.25   2.482    171
     80.38   0.898   1000
     75.25   0.841     25

in CDCl3