13895-38-0

4-亚硝基间苯二酚单甲醚(13895-38-0)质谱(MS)

产品名称:4-亚硝基间苯二酚单甲醚

CAS:13895-38-0

分子式:C7H7NO3

分子量: 153.14

InChI:InChI=1S/C7H7NO3/c1-11-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3

InChIKey: RNBFLAJNUZQUIK-UHFFFAOYSA-N

Smiles:C1(O)=CC(OC)=CC=C1N=O

¹HNMR

IR1

IR2

Mass

MS-NW-2605          
5-methoxy-2-nitrosophenol
C7H7NO3             (Mass of molecular ion:    153)

   Source Temperature: 300 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       5.1
      18.0       2.6
      26.0       3.0
      27.0       2.7
      28.0       3.1
      29.0       3.9
      30.0       3.9
      31.0       2.3
      37.0       3.5
      38.0       8.0
      39.0      17.8
      40.0       1.8
      41.0       7.5
      42.0       1.8
      43.0       1.1
      44.0       1.8
      49.0       2.0
      50.0       9.3
      51.0      18.3
      52.0      26.8
      53.0      13.4
      54.0       3.1
      55.0       5.5
      59.0      11.6
      61.0       2.6
      62.0       5.1
      63.0       8.9
      64.0       4.5
      65.0      15.2
      66.0       4.6
      67.0       2.5
      68.0       3.1
      69.0      19.8
      75.0       1.7
      76.0       2.5
      77.0       5.3
      78.0       4.7
      79.0      12.8
      80.0      19.9
      81.0       1.6
      82.0       1.5
      92.0       4.3
      93.0      10.2
      94.0       3.4
      95.0      14.6
      96.0       2.2
     107.0       1.8
     108.0      30.3
     109.0       7.9
     122.0       1.5
     123.0       2.8
     124.0       2.6
     136.0      89.4
     137.0       8.6
     139.0       1.6
     153.0     100.0
     154.0       8.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ N O₃	0.044 g : 0.5 ml CDCl₃
5-methoxy-2-nitrosophenol

    Assign.     Shift(ppm)

      A            17.0
      B             7.636
      C             6.570
      D             6.077
      E             3.919

     Hz     ppm     Int.

    688.96   7.693     52
    679.57   7.588     61
    593.87   6.631     80
    591.43   6.604     86
    584.35   6.525     61
    581.79   6.497     71
    545.29   6.089    138
    542.85   6.062    125
    350.95   3.919   1000

KBr disc