N-Isopropylbenzylamine(102-97-6) MS

Product NameN-Isopropylbenzylamine

CAS 102-97-6

Molecular FormulaC10H15N

Molecular Weight149.23

InChIInChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

InChIKey LYBKPDDZTNUNNM-UHFFFAOYSA-N

SmilesC1(CNC(C)C)=CC=CC=C1

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Mass

MS-NW-8890          
n-isopropylbenzylamine
C10H15N             (Mass of molecular ion:    149)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.8
      28.0       3.7
      30.0       6.5
      39.0       2.9
      41.0       3.0
      42.0       1.5
      43.0       2.3
      51.0       2.1
      58.0       1.7
      63.0       1.2
      65.0       8.4
      67.0       2.2
      72.0       2.1
      77.0       3.1
      78.0       1.1
      79.0       3.1
      89.0       1.7
      91.0     100.0
      92.0       8.4
     104.0       1.4
     106.0       4.2
     132.0       1.6
     134.0      41.7
     135.0       4.4
     148.0       1.6
     149.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₅ N	0.04 ml : 0.5 ml CDCl₃
N-isopropylbenzylamine

    Assign.     Shift(ppm)

      A          7.50 to 7.10
      B             3.770
      C             2.838
      D             1.25
      E             1.088
     
     J(C,E)=6.2HZ.

     Hz     ppm     Int.

    659.19   7.361     30
    658.56   7.354     31
    655.50   7.320     93
    652.81   7.290    623
    649.56   7.253     95
    647.88   7.235     53
    646.88   7.223     32
    337.63   3.770    468
    267.44   2.987     23
    261.13   2.916     54
    254.94   2.847     71
    248.69   2.777     62
    242.56   2.709     31
    111.94   1.250     74
    109.56   1.224     26
    100.38   1.121   1000
     94.19   1.052    899

in CDCl3