700-38-9

6-硝基间甲酚(700-38-9)红外图谱(IR1)

产品名称:6-硝基间甲酚

CAS:700-38-9

分子式:C7H7NO3

分子量: 153.14

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

InChIKey: NQXUSSVLFOBRSE-UHFFFAOYSA-N

Smiles:C1(O)=CC(C)=CC=C1[N+]([O-])=O

Mass

MS-NW-8903          
6-nitro-m-cresol
C7H7NO3             (Mass of molecular ion:    153)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       4.7
      28.0       1.9
      30.0       2.2
      38.0       2.7
      39.0      13.4
      40.0       1.6
      41.0       3.3
      43.0       2.9
      50.0       5.5
      51.0      13.5
      52.0      11.3
      53.0      13.1
      54.0       1.0
      55.0       7.0
      62.0       2.0
      63.0       6.1
      64.0       1.9
      65.0      11.4
      66.0       3.8
      67.0       6.9
      74.0       1.1
      75.0       1.0
      76.0       1.9
      77.0      37.1
      78.0      16.7
      79.0       6.9
      92.0       2.2
      94.0       1.1
      95.0      12.6
     105.0       5.3
     106.0       2.3
     107.0       8.1
     108.0       2.4
     120.0       3.2
     123.0      23.0
     124.0       1.8
     136.0       4.1
     137.0       1.4
     153.0     100.0
     154.0       8.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ N O₃	0.038 g : 0.5 ml CDCl₃
6-nitro-m-cresol

    Assign.     Shift(ppm)

      A            10.60
      B             7.968
      C             6.932
      D             6.779
      E             2.391

     Hz     ppm     Int.

    949.00  10.597    659
    718.25   8.020    188
    709.63   7.924    219
    621.50   6.940    169
    620.88   6.933    190
    620.50   6.929    184
    612.25   6.837    118
    611.81   6.832    116
    610.44   6.816     98
    609.94   6.811     89
    603.63   6.740     94
    603.25   6.736     94
    602.38   6.726     73
    601.81   6.720     89
    601.31   6.715     81
    214.19   2.392   1000

in CDCl3