4195-17-9

4-NITROPHENYL TRIMETHYLACETATE(4195-17-9) MS

Product Name4-NITROPHENYL TRIMETHYLACETATE

CAS 4195-17-9

Molecular FormulaC11H13NO4

Molecular Weight223.23

InChIInChI=1S/C11H13NO4/c1-11(2,3)10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3

InChIKey QADVJDGFQGNSIF-UHFFFAOYSA-N

SmilesC(OC1=CC=C([N+]([O-])=O)C=C1)(=O)C(C)(C)C

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4-NITROPHENYL TRIMETHYLACETATE(4195-17-9) MS
Mass

MS-NW-6887          
p-nitrophenyl pivalate
C11H13NO4           (Mass of molecular ion:    223)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       2.0
      29.0       9.7
      30.0       2.7
      38.0       1.3
      39.0       4.4
      41.0      16.8
      42.0       2.2
      50.0       1.1
      55.0       1.6
      56.0       7.6
      57.0     100.0
      58.0       4.5
      63.0       2.5
      64.0       2.0
      65.0       1.7
      69.0       1.3
      85.0      30.7
      86.0       1.7
      93.0       1.0
     109.0       1.4
     123.0       1.2
     139.0       4.4
     140.0       3.2

90 MHz in CDCl3

4-NITROPHENYL TRIMETHYLACETATE(4195-17-9) MS

¹H NMR	89.56 MHz
C₁₁ H₁₃ N O₄	0.040 g : 0.5 ml CDCl₃
p-nitrophenyl pivalate

    Assign.     Shift(ppm)

      A             8.255
      B             7.250
      C             1.377

     Hz     ppm     Int.

    744.50   8.313     33
    735.19   8.209     40
    653.63   7.299     43
    644.25   7.194     34
    123.38   1.378   1000

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

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