2-Amino-4-phenylbutane(22374-89-6) ¹³C NMR

Product Name2-Amino-4-phenylbutane

CAS 22374-89-6

Molecular FormulaC10H15N

Molecular Weight149.24

InChIInChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3

InChIKey WECUIGDEWBNQJJ-UHFFFAOYSA-N

SmilesC(C1C=CC=CC=1)CC(N)C

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Mass

MS-NW-6644          
1-methyl-3-phenylpropylamine
C10H15N             (Mass of molecular ion:    149)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.7
      27.0       1.4
      30.0       1.3
      39.0       2.7
      41.0       1.2
      42.0       3.0
      43.0       1.8
      44.0     100.0
      45.0       3.1
      51.0       2.5
      57.0       1.3
      58.0       1.3
      63.0       1.2
      65.0       3.5
      71.0       2.2
      77.0       2.8
      78.0       1.5
      79.0       1.4
      91.0      19.0
      92.0       2.6
     103.0       1.2
     104.0       1.2
     105.0       1.1
     115.0       1.1
     117.0       7.9
     132.0      14.2
     133.0       1.5
     134.0       1.8
     149.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₅ N	0.05 ml : 0.5 ml CDCl₃
1-methyl-3-phenylpropylamine

    Assign.     Shift(ppm)

      A             7.20
      B             2.87
      C             2.64
      D             1.62
      E             1.41
      F             1.081

     Hz     ppm     Int.

    660.94   7.380     33
    660.31   7.373     33
    658.13   7.349     51
    655.81   7.323     43
    654.69   7.311     53
    652.94   7.291     71
    650.00   7.258    195
    649.31   7.251    194
    648.00   7.236    221
    645.75   7.211    966
    644.56   7.197   1000
    642.06   7.170    228
    641.00   7.158    181
    638.63   7.131    127
    638.13   7.126    121
    637.19   7.115    123
    632.81   7.066     39
    632.44   7.062     40
    631.56   7.052     39
    629.81   7.033     31
    267.94   2.992     40
    261.69   2.922     89
    255.38   2.852    100
    249.00   2.781     64
    244.81   2.734    105
    243.56   2.720    118
    240.38   2.685     34
    237.31   2.650    177
    233.81   2.611    139
    231.56   2.586     46
    228.19   2.548    248
    156.38   1.747    140
    151.31   1.690     62
    149.88   1.674    228
    147.94   1.652    162
    145.63   1.627     79
    145.00   1.620     77
    143.31   1.601     87
    140.81   1.573    178
    139.88   1.562    138
    136.63   1.526     44
    134.44   1.502    101
    133.19   1.488    107
    126.69   1.415    299
    116.06   1.296     42
    113.94   1.273     30
    103.19   1.153     36
    101.88   1.138     76
     99.94   1.116    956
     97.63   1.091    105
     95.69   1.069    111
     93.63   1.046    895
     85.00   0.950     31
     84.56   0.945     31

in CDCl3