2835-98-5

6-氨基间甲酚(2835-98-5)质谱(MS)

产品名称:6-氨基间甲酚

CAS:2835-98-5

分子式:C7H9NO

分子量: 123.15

InChI:InChI=1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3

InChIKey: HCPJEHJGFKWRFM-UHFFFAOYSA-N

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

Mass

MS-NW-7736          
6-amino-m-cresol
C7H9NO              (Mass of molecular ion:    123)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       2.9
      28.0       4.2
      38.0       2.0
      39.0       6.9
      40.0       1.6
      41.0       3.9
      42.0       2.1
      46.5       2.4
      47.0       1.3
      47.5       1.1
      50.0       2.8
      51.0       7.1
      52.0       5.3
      53.0       3.1
      54.0       3.4
      55.0       1.1
      61.0       1.0
      61.5       2.2
      62.0       1.2
      63.0       2.0
      65.0       3.3
      66.0       4.1
      67.0       4.2
      76.0       1.1
      77.0      12.1
      78.0      14.7
      79.0       2.3
      80.0       3.4
      92.0       1.0
      93.0       5.2
      94.0      12.7
      95.0       2.1
     104.0       2.6
     105.0       2.5
     106.0      17.5
     107.0       3.2
     122.0      72.9
     123.0     100.0
     124.0       8.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₉ N O	0.040 g : 0.5 ml DMSO-d₆
6-amino-m-cresol

    Assign.     Shift(ppm)

      A             9.
      B             6.479
      C             6.476
      D             6.352
      E             4.2
      F             2.088
     
     J(B,D)=2.0HZ
     J(B,F)=-0.6HZ
     J(C,D)=7.7HZ
     J(D,F)=-0.7HZ

     Hz     ppm     Int.

   2592.65   6.488    264
   2590.94   6.484    196
   2590.33   6.482    196
   2588.99   6.479    211
   2584.96   6.469    322
   2543.09   6.364    118
   2542.48   6.362    123
   2541.26   6.359    117
   2540.53   6.357    103
   2535.40   6.345     86
   2534.67   6.343     93
   2533.45   6.340     89
   2532.71   6.338     81
    834.72   2.089   1000

in DMSO-d6