4-tert-Butoxystyrene(95418-58-9) IR1

Product Name4-tert-Butoxystyrene

CAS 95418-58-9

Molecular FormulaC12H16O

Molecular Weight176.25

InChIInChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3

InChIKey GRFNSWBVXHLTCI-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2634          
4-tert-butoxystyrene
C12H16O             (Mass of molecular ion:    176)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.6
      29.0       4.0
      39.0       5.3
      41.0       6.0
      51.0       2.1
      55.0       1.1
      57.0       6.4
      63.0       1.9
      65.0       5.6
      77.0       3.4
      80.5       1.1
      91.0      10.8
      92.0       1.4
      94.0       1.9
     103.0       1.3
     119.0       7.8
     120.0     100.0
     121.0       9.6
     161.0       3.0
     176.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₆ O	0.05 ml : 0.5 ml CDCl₃
4-tert-butoxystyrene

    Assign.     Shift(ppm)

      A             7.294
      B             6.933
      C             6.655
      D             5.628
      E             5.141
      F             1.325
     
     J(C,D)=17.6HZ
     J(C,E)=11.0HZ
     J(D,E)=1.0HZ

     Hz     ppm     Int.

   2922.00   7.312     34
   2919.31   7.305    184
   2917.24   7.300     65
   2912.72   7.289     75
   2910.77   7.284    195
   2777.34   6.950     40
   2774.66   6.943    218
   2772.46   6.938     74
   2767.94   6.926     74
   2765.87   6.921    190
   2674.32   6.692     56
   2663.33   6.665     59
   2656.62   6.648     62
   2645.75   6.621     62
   2258.30   5.651    109
   2257.32   5.649    115
   2240.60   5.607    101
   2239.75   5.605    105
   2060.55   5.156    106
   2059.69   5.154    108
   2049.68   5.129    101
   2048.83   5.127    106
    529.66   1.326   1000

in CDCl3