881-95-8

DL-3-甲氧基腎上腺素鹽酸鹽(881-95-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:DL-3-甲氧基腎上腺素鹽酸鹽

CAS:881-95-8

分子式:C10H16ClNO3

分子量: 233.69

InChI:InChI=1S/C10H15NO3.ClH/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;/h3-5,9,11-13H,6H2,1-2H3;1H

InChIKey: HRIQFVCFOPJYEQ-UHFFFAOYSA-N

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

Mass

MS-NW-6966          
(+-)-4-hydroxy-3-methoxy-alpha-(methylaminomethyl)benzyl alcohol hydrochloride
C10H15NO3 HCl       (Mass of molecular ion:    197)

   Source Temperature: 210 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.1
      18.0       2.7
      27.0       1.2
      28.0       1.9
      30.0       1.9
      35.0       1.4
      36.0       7.9
      38.0       2.8
      39.0       2.6
      42.0       4.7
      43.0       1.7
      44.0     100.0
      45.0       7.2
      46.0      13.0
      51.0       1.8
      52.0       1.4
      53.0       1.8
      55.0       1.3
      63.0       1.0
      65.0       6.8
      66.0       1.1
      77.0       1.7
      81.0       2.4
      82.0       2.1
      93.0      12.2
      94.0       1.9
     109.0       1.2
     110.0       2.0
     122.0       1.1
     123.0       2.2
     125.0       3.5
     137.0       1.7
     138.0       4.3
     151.0       2.9
     152.0       4.4
     153.0       9.2
     154.0       4.9
     179.0       2.6
     197.0       3.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₅ N O₃	0.038 g : 0.5 ml DMSO-d₆
(+-)-4-hydroxy-3-methoxy-alpha-(methylaminomethyl)benzyl alcohol hydrochloride

    Assign.     Shift(ppm)

      A             9.08
      B             9.
      C             6.957
      D             6.809
      E             6.773
      F             6.04
      G             4.870
      J             3.770
      K     *1      3.031
      L     *1      2.977
      M             2.559

     Hz     ppm     Int.

   3632.81   9.090     89
   2781.37   6.960    161
   2779.54   6.955    165
   2727.36   6.825    109
   2719.27   6.805    269
   2710.27   6.782    128
   2708.44   6.778    121
   2702.03   6.761     52
   2700.35   6.757     52
   2414.86   6.043     90
   2410.74   6.033     90
   1950.68   4.881     47
   1946.72   4.872     37
   1944.89   4.867     40
   1940.92   4.857     49
   1506.65   3.770   1000
   1218.57   3.050     31
   1209.41   3.027     70
   1206.36   3.019     66
   1198.58   3.000     69
   1188.81   2.975     64
   1186.37   2.969     39
   1022.95   2.560    703

in DMSO-d6