306-07-0

優(yōu)降寧鹽酸鹽(306-07-0)質(zhì)譜(MS)

產(chǎn)品名稱:優(yōu)降寧鹽酸鹽

CAS:306-07-0

分子式:C11H14ClN

分子量: 195.69

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

InChIKey: BCXCABRDBBWWGY-UHFFFAOYSA-N

Smiles:C1(=CC=CC=C1)CN(C)CC#C.Cl

Mass

MS-NW-6663          
N-methyl-N-(2-propynyl)benzylamine hydrochloride
C11H13N HCl         (Mass of molecular ion:    159)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       5.3
      17.0       1.1
      18.0       5.3
      27.0       2.4
      28.0       2.7
      35.0       5.2
      36.0      38.0
      37.0       1.6
      38.0      12.4
      39.0      24.7
      40.0       2.4
      41.0      10.2
      42.0      52.0
      43.0       2.2
      44.0       3.8
      50.0       3.4
      51.0       8.3
      52.0       2.6
      53.0       1.0
      54.0       1.1
      55.0       1.0
      62.0       1.9
      63.0       5.9
      64.0       2.0
      65.0      24.4
      66.0       4.7
      68.0      73.7
      69.0       3.6
      75.0       1.0
      76.0       1.2
      77.0       5.7
      78.0       2.2
      78.5       1.6
      79.0       1.5
      80.0       3.4
      81.0       2.3
      82.0     100.0
      83.0       6.6
      89.0       5.4
      90.0       2.4
      91.0      84.8
      92.0      32.0
      93.0       1.9
     104.0       2.0
     115.0       3.8
     116.0       1.9
     117.0       2.1
     118.0      11.2
     119.0       2.0
     120.0       2.0
     128.0       1.3
     129.0       1.1
     132.0       6.2
     134.0       1.4
     143.0       1.1
     144.0       1.5
     157.0       1.5
     158.0      32.9
     159.0      64.8
     160.0       7.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₃ N	0.033 g : 0.5 ml CDCl₃
N-methyl-N-(2-propynyl)benzylamine hydrochloride

    Assign.     Shift(ppm)

      A            13.0
      B             7.717
      C             7.44
      D             4.34
      E             3.87
      F             2.890
      G             2.858

     Hz     ppm     Int.

   3089.47   7.731    153
   3086.54   7.724    151
   3085.44   7.721    149
   3083.79   7.717    158
   3082.88   7.714    163
   3081.41   7.711    129
   3079.94   7.707    183
   3076.46   7.698     27
   3075.73   7.697     28
   2981.58   7.461     43
   2977.55   7.451    412
   2974.44   7.443    414
   2973.34   7.440    241
   2971.14   7.435    385
   2969.50   7.431    108
   2967.11   7.425     44
   1155.23   2.891   1000
   1144.97   2.865    164
   1142.41   2.859    348
   1139.84   2.853    163

in CDCl3