29440-90-2

alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2)红外图谱(IR1)

产品名称:alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride

CAS:29440-90-2

分子式:C10H15NO.ClH

分子量: 201.69

InChI:InChI=1S/C10H15NO.ClH/c1-7-3-4-9(5-8(2)11)6-10(7)12;/h3-4,6,8,12H,5,11H2,1-2H3;1H

InChIKey: GOXBCMKYABLWQZ-UHFFFAOYSA-N

Smiles:C1(CC(N)C)C=CC(C)=C(O)C=1.Cl

Mass

MS-NW-6339          
5-(2-aminopropyl)-2-methylphenol hydrochloride
C10H15NO HCl        (Mass of molecular ion:    165)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       3.2
      27.0       1.1
      36.0       6.5
      38.0       2.3
      39.0       1.4
      42.0       1.7
      44.0     100.0
      45.0       2.5
      51.0       1.1
      65.0       1.1
      77.0       2.7
      91.0       2.0
     107.0       1.5
     121.0       2.8
     122.0       2.5
     165.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₅ N O	0.030 g : 0.5 ml DMSO-d₆
5-(2-aminopropyl)-2-methylphenol hydrochloride

    Assign.     Shift(ppm)

      A             9.43
      B             8.26
      C             6.992
      D             6.701
      E             6.555
      F             3.292
      G     *1      2.980
      J     *1      2.530
      K             2.084
      L             1.120
     
     SIGNAL J OVERLAPPED BY SOLVENT PEAK

     Hz     ppm     Int.

   3768.01   9.429     83
   3311.00   8.285     98
   2798.31   7.002    172
   2790.83   6.984    180
   2678.68   6.703    244
   2677.46   6.700    239
   2624.05   6.566    138
   2622.83   6.563    129
   2616.58   6.548    126
   2615.20   6.544    116
   1200.41   3.004     65
   1195.83   2.993     63
   1187.29   2.971     76
   1182.56   2.959     68
   1021.58   2.557     79
   1011.81   2.532    196
   1009.98   2.528    201
   1008.30   2.523    182
    998.84   2.500     68
    833.28   2.086   1000
    451.05   1.129    490
    444.64   1.113    475

in DMSO-d6

KBr disc

nujol mull

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