1975-78-6

癸腈(1975-78-6)質(zhì)譜(MS)

產(chǎn)品名稱:癸腈

CAS:1975-78-6

分子式:C10H19N

分子量: 153.26

InChI:InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3

InChIKey: HBZDPWBWBJMYRY-UHFFFAOYSA-N

Smiles:C(#N)CCCCCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8200          
decanenitrile
C10H19N             (Mass of molecular ion:    153)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.6
      26.0       1.4
      27.0      26.9
      28.0       7.8
      29.0      40.0
      30.0       5.0
      39.0      23.7
      40.0       4.6
      41.0      99.8
      42.0      21.6
      43.0      82.6
      44.0       5.5
      51.0       1.7
      52.0       1.9
      53.0       8.2
      54.0      70.2
      55.0      67.2
      56.0      25.8
      57.0      59.4
      58.0       3.8
      65.0       1.5
      66.0       1.5
      67.0       9.7
      68.0      15.5
      69.0      78.4
      70.0      20.7
      71.0      16.3
      72.0       1.6
      77.0       1.5
      79.0       8.9
      80.0       3.2
      81.0       9.0
      82.0     100.0
      83.0      79.4
      84.0      13.3
      85.0       3.2
      91.0       2.5
      93.0       6.2
      94.0       3.5
      95.0       3.9
      96.0      97.9
      97.0      87.2
      98.0       9.4
     107.0       3.9
     108.0       1.7
     109.0       1.3
     110.0      89.8
     111.0      26.1
     112.0       2.5
     122.0       1.1
     124.0      42.0
     125.0       6.3
     138.0       7.0
     152.0       4.2
     154.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₉ N	0.05 ml : 0.5 ml CDCl₃
decanenitrile

    Assign.     Shift(ppm)

      A             2.334
      B             1.650
      C             1.442
      D             1.29
      E             0.883

     Hz     ppm     Int.

    940.43   2.354    455
    933.23   2.336    950
    926.15   2.318    516
    675.17   1.690     87
    667.85   1.672    231
    660.40   1.653    296
    652.95   1.634    271
    645.75   1.616    126
    591.80   1.481     42
    584.47   1.463    120
    577.27   1.445    167
    572.63   1.433    111
    569.70   1.426    139
    562.50   1.408     66
    533.33   1.335    133
    528.81   1.324    200
    516.60   1.293    708
    514.65   1.288    661
    509.64   1.276    724
    360.11   0.902    303
    353.27   0.884   1000
    346.31   0.867    405

in CDCl3