香蘭素胺鹽酸鹽(7149-10-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:香蘭素胺鹽酸鹽

CAS:7149-10-2

分子式:C8H12ClNO2

分子量: 189.64

InChI:InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H

InChIKey: PUDMGOSXPCMUJZ-UHFFFAOYSA-N

Smiles:C1(OC)=C(O)C=CC(CN)=C1.Cl

Mass

MS2014-05075CW      
4-aminomethyl-2-methoxyphenol hydrochloride
C8H11NO2 HCl        (Mass of molecular ion:    153)

   Source Temperature: 245 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      15.0       1.5
      27.0       2.3
      28.0       7.2
      29.0       1.7
      30.0      12.5
      35.0       3.3
      36.0      18.4
      37.0       1.1
      38.0       6.2
      39.0       8.4
      40.0       1.5
      41.0       2.4
      42.0       1.0
      43.0       1.1
      50.0       4.2
      51.0       9.6
      52.0       8.5
      53.0       5.8
      54.0       3.7
      55.0       3.8
      62.0       2.3
      63.0       5.0
      64.0       2.8
      65.0      20.0
      66.0       5.7
      67.0       6.1
      68.0       1.0
      76.0       1.2
      77.0       8.6
      78.0       4.1
      79.0       4.2
      80.0      10.0
      81.0      10.0
      82.0       8.6
      83.0       2.5
      90.0       1.6
      91.0       1.8
      92.0       5.0
      93.0      24.8
      94.0      12.0
      95.0       6.2
     105.0       5.6
     106.0       5.4
     107.0      12.7
     108.0       7.2
     109.0      24.3
     110.0      31.4
     111.0       3.8
     118.0       2.0
     119.0       1.1
     120.0       3.9
     121.0       9.4
     122.0      62.9
     123.0       6.5
     124.0       5.3
     125.0      12.9
     126.0       1.0
     134.0       2.2
     135.0       9.5
     136.0      74.5
     137.0      77.2
     138.0      13.8
     139.0       1.2
     150.0       3.0
     151.0       1.1
     152.0      97.8
     153.0     100.0
     154.0       9.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₁ N O₂	0.036 g : 0.5 ml DMSO-d₆
4-aminomethyl-2-methoxyphenol hydrochloride

    Assign.     Shift(ppm)

      A             9.26
      B             8.51
      C             7.223
      D             6.874
      E             6.823
      F             3.878
      G             3.777

     Hz     ppm     Int.

   3702.39   9.265     26
   3399.35   8.506     88
   2887.88   7.227    161
   2886.05   7.222    163
   2753.45   6.890     61
   2751.62   6.886     58
   2745.51   6.870    114
   2743.53   6.865    115
   2729.80   6.831    242
   2721.71   6.811    132
   1552.73   3.886    105
   1547.39   3.872    105
   1509.55   3.778   1000

in DMSO-d6