5-羥基色胺鹽酸鹽(153-98-0)紅外圖譜(IR2)

產(chǎn)品名稱:5-羥基色胺鹽酸鹽

CAS:153-98-0

分子式:C10H13ClN2O

分子量: 212.68

InChI:InChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H

InChIKey: MDIGAZPGKJFIAH-UHFFFAOYSA-N

Smiles:C12C=C(C=CC=1NC=C2CCN)O.Cl

Mass

MS-IW-0828          
3-(2-aminoethyl)-5-indolol hydrochloride
C10H12N2O HCl 1/2H2O(Mass of molecular ion:    176)

   Source Temperature: 150 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.9
      28.0       1.0
      30.0       5.9
      36.0       9.8
      38.0       3.3
      57.0       1.1
      63.0       1.0
      65.0       2.7
      71.0       1.0
      77.0       1.0
      89.0       1.7
      90.0       1.5
      91.0       5.2
     117.0       4.8
     118.0       4.9
     128.0       1.6
     130.0       1.5
     133.0       1.1
     145.0       2.2
     146.0     100.0
     147.0      67.0
     148.0       6.9
     159.0       1.4
     176.0      27.2
     177.0       3.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₂ N₂ O	0.031 g : 0.5 ml DMSO-d₆
3-(2-aminoethyl)-5-indolol hydrochloride

    Assign.     Shift(ppm)

      A             7.167
      B             7.122
      C             6.881
      D             6.658
      E     *1      3.027
      F     *1      2.964

     Hz     ppm     Int.

   4257.34  10.653    501
   3267.87   8.177    547
   3267.32   8.176    548
   2875.71   7.196     38
   2869.12   7.180    915
   2860.51   7.158   1000
   2855.02   7.144     81
   2854.28   7.142     81
   2853.92   7.142     82
   2846.41   7.123    841
   2836.33   7.098     30
   2750.79   6.883    905
   2749.33   6.880    892
   2742.00   6.862     33
   2665.99   6.671    639
   2664.16   6.667    602
   2657.38   6.650    595
   2655.55   6.645    542
   1375.95   3.443    494
   1210.73   3.030    594
   1210.36   3.029    594
   1207.98   3.023    560
   1204.32   3.014    664
   1191.31   2.981    713
   1185.27   2.966    641

in DMSO-d6