881-95-8

DL-M-O-METHYLEPINEPHRINE HYDROCHLORIDE(881-95-8) IR2

Product NameDL-M-O-METHYLEPINEPHRINE HYDROCHLORIDE

CAS 881-95-8

Molecular FormulaC10H16ClNO3

Molecular Weight233.69

InChIInChI=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

SmilesC1(=CC=C(O)C(OC)=C1)C(O)CNC.Cl

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DL-M-O-METHYLEPINEPHRINE HYDROCHLORIDE(881-95-8) IR2
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

DL-M-O-METHYLEPINEPHRINE HYDROCHLORIDE(881-95-8) IR2

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