635-67-6

1,2-DIACETOXYBENZENE(635-67-6) MS

Product Name1,2-DIACETOXYBENZENE

CAS 635-67-6

Molecular FormulaC10H10O4

Molecular Weight194.18

InChIInChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3

InChIKey FBSAITBEAPNWJG-UHFFFAOYSA-N

SmilesC1(OC(=O)C)=CC=CC=C1OC(=O)C

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1,2-DIACETOXYBENZENE(635-67-6) MS
Mass

MS-IW-3857          
o-phenylene diacetate
C10H10O4            (Mass of molecular ion:    194)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.3
      27.0       1.0
      43.0      46.9
      44.0       1.1
      50.0       1.1
      51.0       1.9
      52.0       3.7
      53.0       1.5
      63.0       1.3
      64.0       2.3
      80.0       1.0
      81.0       3.0
      92.0       1.3
     109.0       2.2
     110.0     100.0
     111.0       7.0
     152.0      19.6
     153.0       1.8
     194.0       2.7

400 MHz in CDCl3

1,2-DIACETOXYBENZENE(635-67-6) MS

¹H NMR	399.65 MHz
C₁₀ H₁₀ O₄	0.040 g : 0.5 ml CDCl₃
o-phenylene diacetate

    Assign.     Shift(ppm)

      A             7.242
      B             7.183
      C             2.278

     Hz     ppm     Int.

   2900.02   7.257     72
   2899.41   7.255     77
   2896.61   7.248     95
   2894.65   7.243     63
   2893.80   7.241     71
   2890.75   7.234    114
   2890.38   7.233    124
   2886.84   7.224     41
   2878.30   7.203     37
   2874.76   7.194    117
   2874.27   7.192    122
   2871.34   7.185     76
   2870.48   7.183     64
   2868.53   7.178     97
   2864.99   7.169     62
   2864.62   7.168     65
    910.52   2.279   1000
    906.74   2.269     42

in CDCl3