BENZYL 4-NITROPHENYL CARBONATE(13795-24-9) IR2

Product NameBENZYL 4-NITROPHENYL CARBONATE

CAS 13795-24-9

Molecular FormulaC14H11NO5

Molecular Weight273.24

InChIInChI=1S/C14H11NO5/c16-14(19-10-11-4-2-1-3-5-11)20-13-8-6-12(7-9-13)15(17)18/h1-9H,10H2

InChIKey QIXRWIVDBZJDGD-UHFFFAOYSA-N

SmilesC(OCC1=CC=CC=C1)(=O)OC1=CC=C([N+]([O-])=O)C=C1

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Mass

MS-NW-7914          
benzyl p-nitrophenyl carbonate
C14H11NO5           (Mass of molecular ion:    273)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.3
      28.0       1.1
      30.0       2.4
      38.0       1.1
      39.0       3.2
      44.0       2.9
      50.0       1.5
      51.0       2.3
      63.0       2.7
      64.0       1.9
      65.0       7.3
      77.0       2.0
      89.0       1.4
      90.0       1.2
      91.0     100.0
      92.0       8.4
     139.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₁₁ N O₅	0.040 g : 0.5 ml CDCl₃
benzyl p-nitrophenyl carbonate

    Assign.     Shift(ppm)

      A             8.253
      B             7.42
      C             7.36
      D             5.297

     Hz     ppm     Int.

    747.25   8.344     32
    744.25   8.311    209
    742.00   8.285     75
    737.25   8.232     85
    734.88   8.206    255
    731.75   8.171     36
    672.94   7.514     29
    672.13   7.505     35
    671.75   7.501     36
    671.25   7.495     35
    664.38   7.419   1000
    660.25   7.373     64
    657.44   7.341     97
    655.13   7.315    216
    652.06   7.281     33
    474.44   5.298    544
    472.50   5.276     34

in CDCl3