DL-alpha-Methylbenzylamine(618-36-0) ¹³C NMR

Product NameDL-alpha-Methylbenzylamine

CAS 618-36-0

Molecular FormulaC8H11N

Molecular Weight121.18

InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3

InChIKey RQEUFEKYXDPUSK-UHFFFAOYSA-N

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

Request For Quotation

Mass

MS-NW-1311          
(+-)-alpha-methylbenzylamine
C8H11N              (Mass of molecular ion:    121)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       2.3
      27.0       2.4
      28.0      14.7
      39.0       3.0
      41.0       1.1
      42.0      11.9
      43.0       6.7
      44.0      16.2
      50.0       3.1
      51.0       7.5
      52.0       2.6
      53.0       5.9
      63.0       1.5
      65.0       1.2
      74.0       1.0
      76.0       1.0
      77.0      12.9
      78.0       4.7
      79.0      23.2
      80.0       1.7
      91.0       1.5
     103.0       2.6
     104.0       4.8
     105.0       4.5
     106.0     100.0
     107.0       8.8
     120.0       6.2
     121.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N	10.6 mol% in CDCl₃
(+-)-alpha-methylbenzylamine

    Assign.     Shift(ppm)

      A             1.355
      B             4.050
      C             1.87
      D          7.18 to 7.38

     Hz     ppm     Int.

    658.00   7.348    128
    655.63   7.321    272
    653.75   7.300    353
    652.38   7.285    895
    651.06   7.270    231
    649.94   7.258    306
    647.75   7.233    224
    646.31   7.217    104
    644.94   7.202     54
    644.50   7.197     54
    643.88   7.190     39
    641.56   7.164     39
    373.13   4.167     53
    366.56   4.093    162
    359.94   4.019    171
    353.31   3.945     63
    167.13   1.867    480
    126.69   1.415     36
    124.69   1.393   1000
    123.06   1.375     37
    122.56   1.369     40
    120.06   1.341     36
    118.06   1.319    944
    115.88   1.294     32

in CDCl3