2-Methoxy-5-nitrophenol(636-93-1) MS

Product Name2-Methoxy-5-nitrophenol

CAS 636-93-1

Molecular FormulaC7H7NO4

Molecular Weight169.13

InChIInChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3

InChIKey KXKCTSZYNCDFFG-UHFFFAOYSA-N

SmilesC1(O)=CC([N+]([O-])=O)=CC=C1OC

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2-Methoxy-5-nitrophenol(636-93-1) MS
Mass

MS-NW-7272          
2-methoxy-5-nitrophenol
C7H7NO4             (Mass of molecular ion:    169)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       3.7
      17.0       2.1
      18.0      11.8
      26.0       3.2
      27.0       2.0
      28.0       3.4
      29.0       3.3
      30.0      22.9
      31.0       3.9
      37.0       2.5
      38.0       6.4
      39.0      10.7
      40.0       1.2
      41.0      10.2
      42.0       1.7
      43.0       1.8
      49.0       2.7
      50.0      11.5
      51.0      25.3
      52.0      31.9
      53.0      13.5
      54.0       3.0
      55.0      10.5
      61.0       3.0
      62.0       7.4
      63.0      10.0
      64.0       2.7
      65.0      24.6
      66.0       2.5
      67.0       5.9
      68.0       4.8
      69.0       2.8
      77.0      10.6
      78.0       1.1
      79.0      17.2
      80.0      16.2
      81.0       1.4
      91.0       4.1
      92.0       1.9
      93.0       5.6
      94.0       2.1
      95.0       1.8
      96.0       7.3
     107.0       3.3
     108.0      25.4
     109.0       2.4
     111.0      12.2
     123.0      25.8
     124.0       2.4
     139.0      22.8
     140.0       3.0
     153.0       2.4
     154.0       1.5
     169.0     100.0
     170.0       8.1

400 MHz in CDCl3

2-Methoxy-5-nitrophenol(636-93-1) MS

¹H NMR	399.65 MHz
C₇ H₇ N O₄	0.041 g : 0.5 ml CDCl₃
2-methoxy-5-nitrophenol

    Assign.     Shift(ppm)

      A             7.831
      B             7.773
      C             6.915
      D             5.95
      E             4.014

     Hz     ppm     Int.

   3135.86   7.847     99
   3133.18   7.840    115
   3126.95   7.825    101
   3124.39   7.818    122
   3107.91   7.777    226
   3105.22   7.770    184
   2768.07   6.927    185
   2759.16   6.904    176
   2378.42   5.952     54
   1604.25   4.015   1000

in CDCl3