P-NITROBENZAL DIACETATE(2929-91-1) IR2

Product NameP-NITROBENZAL DIACETATE

CAS 2929-91-1

Molecular FormulaC11H11NO6

Molecular Weight253.21

InChIInChI=1S/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-3-5-10(6-4-9)12(15)16/h3-6,11H,1-2H3

InChIKey WGESNIARHZFDHQ-UHFFFAOYSA-N

SmilesC(OC(=O)C)(OC(=O)C)C1=CC=C([N+]([O-])=O)C=C1

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Mass

MS-NW-6337          
p-nitrobenzylidene diacetate
C11H11NO6           (Mass of molecular ion:    253)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       3.2
      18.0       2.8
      28.0       1.2
      39.0       1.0
      42.0       1.9
      43.0     100.0
      44.0       2.4
      50.0       2.6
      51.0       4.7
      75.0       1.1
      76.0       2.3
      77.0       4.6
      92.0       1.0
     103.0       3.5
     104.0       2.5
     105.0       2.9
     106.0       1.0
     134.0       2.1
     150.0      10.1
     151.0      13.4
     152.0       2.0
     194.0       2.3
     210.0       2.6
     211.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₁ N O₆	0.041 g : 0.5 ml CDCl₃
p-nitrobenzylidene diacetate

    Assign.     Shift(ppm)

      A             8.26
      B             7.74
      C             7.72
      D             2.162

     Hz     ppm     Int.

    744.88   8.318     77
    742.81   8.294     36
    738.00   8.241     28
    735.88   8.217     98
    694.13   7.751    126
    693.25   7.741    131
    685.56   7.655     68
    193.56   2.162   1000

in CDCl3

KBr disc

nujol mull

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