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Back ChemicalBook Home>CAS DataBase List>29440-90-2More Spectrum> alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2) 13C NMR

29440-90-2

alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2) 13C NMR

Molecular FormulaC10H15NO.ClH

Molecular Weight201.69

InChIInChI=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

SmilesC1(CC(N)C)C=CC(C)=C(O)C=1.Cl

  • alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2) <sup>13</sup>C NMR
    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

  • alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2) <sup>13</sup>C NMR

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

  • alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2) <sup>13</sup>C NMR

KBr disc

  • alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2) <sup>13</sup>C NMR

nujol mull

  • alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2) <sup>13</sup>C NMR

alpha,4-Dimethyl-3-hydroxyphenethylamine hydrochloride(29440-90-2) 13C NMR Atlas of Related Products

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