2835-96-3

2-甲基-4-氨基苯酚(2835-96-3)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲基-4-氨基苯酚

CAS:2835-96-3

分子式:C7H9NO

分子量: 123.15

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

InChIKey: HDGMAACKJSBLMW-UHFFFAOYSA-N

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

Mass

MS-NW-7247          
4-amino-o-cresol
C7H9NO              (Mass of molecular ion:    123)

   Source Temperature: 230 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.5
      26.0       1.4
      27.0       3.1
      28.0       5.4
      29.0       1.0
      30.0       1.4
      37.0       1.4
      38.0       3.0
      39.0       8.4
      40.0       1.9
      41.0       6.7
      42.0       3.2
      43.0       1.2
      46.5       3.9
      47.0       2.4
      50.0       2.0
      51.0       4.9
      52.0       6.4
      52.5       1.1
      53.0       5.2
      54.0       4.3
      55.0       2.9
      61.0       2.0
      61.5       6.0
      62.0       1.4
      63.0       1.5
      65.0       4.1
      66.0       5.5
      67.0       6.4
      68.0       1.6
      77.0      10.9
      78.0       6.2
      79.0       3.1
      80.0       9.7
      81.0       1.7
      92.0       1.2
      93.0       4.6
      94.0      21.9
      95.0       4.7
      96.0       1.1
     104.0       5.9
     105.0       3.0
     106.0      11.5
     107.0       3.1
     108.0       1.0
     121.0       2.2
     122.0      39.7
     123.0     100.0
     124.0       8.0

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₇ H₉ N O	0.038 g : 0.5 ml DMSO-d₆
4-amino-o-cresol

    Assign.     Shift(ppm)

      A             8.13
      B             6.47
      C             6.33
      D             6.25
      E             4.25
      F             2.006

     Hz     ppm     Int.

    727.88   8.128    100
    584.50   6.527    121
    576.31   6.435    247
    573.38   6.403     37
    573.06   6.399     38
    568.50   6.348    193
    567.69   6.339    199
    566.38   6.325    261
    565.81   6.318    272
    563.44   6.292    217
    560.69   6.261     96
    557.88   6.230     36
    557.38   6.224     40
    555.25   6.200     89
    552.56   6.170     55
    380.88   4.253    192
    179.88   2.009   1000

in DMSO-d6