Pargyline(555-57-7) IR1

Product NamePargyline

CAS 555-57-7

Molecular FormulaC11H13N

Molecular Weight159.23

InChIInChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3

InChIKey DPWPWRLQFGFJFI-UHFFFAOYSA-N

SmilesC1(CN(C)CC#C)=CC=CC=C1

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Mass

MS-NW-5455          
N-methyl-N-(2-propynyl)benzylamine
C11H13N             (Mass of molecular ion:    159)

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

      15.0       4.6
      18.0       1.3
      27.0       2.0
      28.0       2.7
      37.0       1.1
      38.0       3.1
      39.0      21.1
      40.0       2.7
      41.0       8.5
      42.0      43.9
      43.0       2.1
      44.0       3.8
      50.0       3.2
      51.0       7.7
      52.0       2.1
      55.0       1.0
      62.0       1.6
      63.0       5.6
      64.0       1.8
      65.0      21.0
      66.0       3.8
      68.0      66.9
      69.0       3.4
      76.0       1.0
      77.0       5.7
      78.0       2.4
      78.5       1.4
      79.0       1.7
      80.0       3.4
      81.0       1.8
      82.0     100.0
      83.0       6.3
      89.0       4.8
      90.0       2.2
      91.0      96.3
      92.0      30.5
      93.0       2.3
     104.0       2.2
     115.0       3.8
     116.0       1.8
     117.0       1.9
     118.0      12.0
     119.0       2.6
     120.0       2.9
     128.0       1.2
     129.0       1.1
     132.0       5.8
     134.0       3.8
     143.0       1.2
     144.0       1.5
     157.0       1.5
     158.0      32.5
     159.0      41.9
     160.0       6.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₃ N	0.04 ml : 0.5 ml CDCl₃
N-methyl-N-(2-propynyl)benzylamine

    Assign.     Shift(ppm)

      A          7.59 to 7.03
      B             3.563
      C             3.295
      D             2.332
      E             2.254
     
     J(C,E)=2.4HZ.

     Hz     ppm     Int.

    660.56   7.376     60
    658.38   7.352     36
    656.44   7.330    154
    653.94   7.302    821
    651.25   7.272    194
    649.31   7.251     51
    647.63   7.232     74
    646.19   7.216     29
    645.81   7.211     29
    319.19   3.564    624
    296.44   3.310    317
    294.06   3.284    340
    208.94   2.333   1000
    204.25   2.281    191
    201.88   2.255    390
    199.44   2.227    195

in CDCl3