53222-92-7

2-甲基-3-氨基苯酚(53222-92-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-甲基-3-氨基苯酚

CAS:53222-92-7

分子式:C7H9NO

分子量: 123.15

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

InChIKey: FLROJJGKUKLCAE-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC(N)=C1C

Mass

MS-NW-7276          
3-amino-o-cresol
C7H9NO              (Mass of molecular ion:    123)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.3
      28.0       3.3
      30.0       1.2
      37.0       1.1
      38.0       2.3
      39.0       7.0
      40.0       1.6
      41.0       4.4
      42.0       2.5
      43.0       1.0
      46.5       2.0
      47.0       1.0
      50.0       2.1
      51.0       5.3
      52.0       5.9
      52.5       1.4
      53.0       2.8
      54.0       3.2
      55.0       2.0
      61.0       2.3
      61.5       4.9
      62.0       1.3
      63.0       1.9
      65.0       4.4
      66.0       4.3
      67.0       4.1
      68.0       1.5
      76.0       1.2
      77.0      12.9
      78.0      12.3
      79.0       3.6
      80.0       6.2
      81.0       1.6
      82.0       1.0
      92.0       1.2
      93.0       6.1
      94.0      24.5
      95.0       5.9
      96.0       1.0
     104.0       7.8
     105.0       6.9
     106.0      16.7
     107.0       3.5
     122.0      53.0
     123.0     100.0
     124.0       8.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₉ N O	0.030 g : 0.5 ml DMSO-d₆
3-amino-o-cresol

    Assign.     Shift(ppm)

      A             8.77
      B             6.643
      C             6.104
      D             6.067
      E             4.65
      F             1.871

     Hz     ppm     Int.

   3506.35   8.774    180
   2663.33   6.665     87
   2655.40   6.645    183
   2647.46   6.625    101
   2442.99   6.113    145
   2435.67   6.095    132
   2435.06   6.093    132
   2428.59   6.077    144
   2420.65   6.057    135
   1857.91   4.649     64
    747.80   1.872   1000

in DMSO-d6