40580-83-4

鹽酸哈爾酚(40580-83-4)核磁圖(¹HNMR)

產(chǎn)品名稱:鹽酸哈爾酚

CAS:40580-83-4

分子式:C12H11ClN2O

分子量: 234.68

InChI:InChI=1S/C12H10N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-6,14-15H,1H3;1H

InChIKey: IBINNLDPMFWTTI-UHFFFAOYSA-N

Smiles:C12C=CC(O)=CC=1NC1=C(C)N=CC=C21.Cl

Mass

MS-NW-6605          
1-methyl-beta-carbolin-7-ol hydrochloride
C12H10N2O HCl H2O   (Mass of molecular ion:    198)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.6
      28.0       1.2
      35.0       1.4
      36.0       9.3
      38.0       3.2
      39.0       1.3
      50.0       1.2
      51.0       2.2
      52.0       1.1
      62.0       1.4
      63.0       2.5
      70.5       1.4
      74.0       1.5
      75.0       2.4
      76.0       1.5
      77.0       1.5
      84.5       1.5
      85.0       1.9
      89.0       1.7
      99.0       6.7
      99.5       1.0
     100.0       1.0
     101.0       1.6
     102.0       1.5
     114.0       1.0
     115.0       2.9
     116.0       1.2
     127.0       1.2
     128.0       1.4
     140.0       1.5
     141.0       1.3
     142.0       1.5
     143.0       1.0
     144.0       1.2
     152.0       1.0
     154.0       1.2
     156.0       1.3
     168.0       1.2
     169.0       6.5
     170.0       9.9
     171.0       4.7
     196.0       1.1
     197.0      19.8
     198.0     100.0
     199.0      14.1
     200.0       1.2

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₁₂ H₁₀ N₂ O	0.038 g : 0.5 ml DMSO-d₆
1-methyl-beta-carbolin-7-ol hydrochloride

    Assign.     Shift(ppm)

      A     *1     12.81
      B     *1     10.65
      C             8.33
      D             8.30
      E             8.21
      F             7.14
      G             6.94
      J             3.024
      K             4.1
     
     J(E,G)=8.6 HZ. J(F,G)=2.0 HZ. J(C,D)=6.4 HZ.

     Hz     ppm     Int.

   1147.65  12.815    161
    751.51   8.392     39
    745.09   8.320    386
    744.00   8.308    423
    739.69   8.260    170
    737.58   8.236     54
    730.99   8.163    186
    639.92   7.146    168
    638.36   7.128    223
    626.27   6.993    142
    624.35   6.972    107
    617.66   6.897    117
    615.55   6.874    103
    270.81   3.024   1000

in DMSO-d6