1014-60-4

1,3-DI-TERT-BUTYLBENZENE(1014-60-4) IR1

Product Name1,3-DI-TERT-BUTYLBENZENE

CAS 1014-60-4

Molecular FormulaC14H22

Molecular Weight190.32

InChIInChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3

InChIKey ILNDSSCEZZFNGE-UHFFFAOYSA-N

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

Request For Quotation

1,3-DI-TERT-BUTYLBENZENE(1014-60-4) IR1
Mass

MS-IW-8370          
m-di-tert-butylbenzene
C14H22              (Mass of molecular ion:    190)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      29.0       3.6
      39.0       1.6
      41.0       8.0
      51.0       1.3
      55.0       1.1
      57.0      39.0
      58.0       2.5
      64.0       2.2
      65.0       5.7
      66.0       4.4
      77.0       1.9
      79.0       1.8
      79.5       1.4
      80.0       4.0
      91.0       5.4
     105.0       2.2
     115.0       2.4
     117.0       2.4
     119.0       2.8
     128.0       1.4
     129.0       1.0
     131.0       1.5
     133.0       1.1
     145.0       1.0
     147.0       5.0
     159.0       1.4
     175.0     100.0
     176.0      14.4
     190.0      15.4
     191.0       2.4

400 MHz in CDCl3

1,3-DI-TERT-BUTYLBENZENE(1014-60-4) IR1

¹H NMR	399.65 MHz
C₁₄ H₂₂	0.05 ml : 0.5 ml CDCl₃
m-di-tert-butylbenzene

    Assign.     Shift(ppm)

      A             7.433
      B             7.21
      C             1.323

     Hz     ppm     Int.

   2972.53   7.438     29
   2970.70   7.434     47
   2968.87   7.429     27
   2888.55   7.228     30
   2884.77   7.219     59
   2883.91   7.217     66
   2882.45   7.213     98
   2880.86   7.209     90
   2878.17   7.202     29
   2875.98   7.197     26
    529.17   1.325   1000
    521.85   1.306     40

in CDCl3