tert-Butyl phenyl carbonate(6627-89-0) MS

Product Nametert-Butyl phenyl carbonate

CAS 6627-89-0

Molecular FormulaC11H14O3

Molecular Weight194.23

InChIInChI=1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey UXWVQHXKKOGTSY-UHFFFAOYSA-N

SmilesC(OC1=CC=CC=C1)(=O)OC(C)(C)C

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tert-Butyl phenyl carbonate(6627-89-0) MS
Mass

MS-NW-5816          
tert-butyl phenyl carbonate
C11H14O3            (Mass of molecular ion:    194)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.4
      16.0       1.0
      26.0       1.7
      27.0       8.0
      28.0       4.3
      29.0      15.8
      37.0       2.4
      38.0       5.4
      39.0      28.4
      40.0       9.7
      41.0      51.3
      42.0       2.2
      43.0       2.6
      44.0      25.7
      47.0       2.2
      50.0       4.6
      51.0       6.5
      52.0       1.0
      53.0       2.3
      55.0       7.5
      56.0      20.1
      57.0      87.8
      58.0       4.2
      62.0       1.5
      63.0       3.0
      64.0       1.4
      65.0      14.7
      66.0      13.8
      67.0       1.0
      77.0      15.9
      78.0       1.3
      93.0       1.6
      94.0     100.0
      95.0      12.7
     107.0       2.9
     121.0       2.0
     135.0       7.1
     179.0       2.2

90 MHz in CDCl3

tert-Butyl phenyl carbonate(6627-89-0) MS

¹H NMR	89.56 MHz
C₁₁ H₁₄ O₃	0.04 ml : 0.5 ml CDCl₃
tert-butyl phenyl carbonate

    Assign.     Shift(ppm)

      A             7.36
      B             7.21
      C             7.16
      D             1.551
     
     CALCULATED BY LAOCN PROGRUM.

     Hz     ppm     Int.

    654.71   7.311     23
    653.52   7.298     50
    652.66   7.288     48
    650.10   7.259     26
    648.82   7.245     37
    646.68   7.221     22
    644.97   7.202     88
    643.52   7.186     39
    638.82   7.133     24
    138.94   1.552   1000

in CDCl3