3-NITROPHENYLACETIC ACID(1877-73-2) MS

Product Name3-NITROPHENYLACETIC ACID

CAS 1877-73-2

Molecular FormulaC8H7NO4

Molecular Weight181.15

InChIInChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)

InChIKey WUKHOVCMWXMOOA-UHFFFAOYSA-N

SmilesC1(CC(O)=O)=CC=CC([N+]([O-])=O)=C1

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3-NITROPHENYLACETIC ACID(1877-73-2) MS
Mass

MS-NW-7261          
m-nitrophenylacetic acid
C8H7NO4             (Mass of molecular ion:    181)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.2
      27.0       4.2
      28.0       4.3
      29.0       2.0
      30.0       6.5
      37.0       2.3
      38.0       6.2
      39.0      25.5
      40.0       3.7
      41.0       3.0
      43.0       2.6
      44.0       1.7
      45.0      10.6
      49.0       1.0
      50.0       9.1
      51.0      16.1
      52.0       5.0
      53.0       6.0
      55.0       2.9
      61.0       2.9
      62.0       9.6
      63.0      29.5
      64.0      10.6
      65.0      12.4
      66.0       1.3
      67.0       1.8
      74.0       2.7
      75.0       2.7
      76.0       1.7
      77.0      43.2
      78.0      12.0
      79.0      33.3
      80.0       2.4
      81.0       1.3
      85.0       1.0
      86.0       2.1
      87.0       2.2
      88.0       1.2
      89.0      57.0
      90.0      96.3
      91.0      46.5
      92.0       4.0
      95.0       2.8
     105.0       4.3
     106.0       2.4
     107.0      10.5
     117.0       5.2
     120.0      52.1
     121.0       4.7
     123.0       1.8
     134.0       4.6
     135.0      23.5
     136.0      95.8
     137.0      18.9
     138.0       1.8
     139.0      21.0
     140.0       1.6
     153.0       2.9
     164.0       6.9
     165.0       1.8
     181.0     100.0
     182.0       9.5
     183.0       1.3

90 MHz in CDCl3

3-NITROPHENYLACETIC ACID(1877-73-2) MS

¹H NMR	89.56 MHz
C₈ H₇ N O₄	0.047 g : 0.5 ml CDCl₃
m-nitrophenylacetic acid

    Assign.     Shift(ppm)

      A         11.22 to 10.70
      B          8.20 to 8.110
      C             7.61
      D             7.55
      E             3.784

     Hz     ppm     Int.

    732.04   8.174    341
    729.74   8.149    226
    729.14   8.142    239
    726.83   8.116    185
    724.95   8.095     82
    724.52   8.090     85
    688.21   7.685     72
    682.23   7.618    220
    679.92   7.592    450
    677.10   7.561     74
    676.33   7.552    100
    675.13   7.539     72
    671.80   7.502    219
    664.03   7.415     70
    339.06   3.786   1000

in CDCl3