59346-56-4

2,2,4-三甲基-3-羟基正戊腈(59346-56-4)红外图谱(IR1)

产品名称:2,2,4-三甲基-3-羟基正戊腈

CAS:59346-56-4

分子式:C8H15NO

分子量: 141.21

InChI:InChI=1S/C8H15NO/c1-6(2)7(10)8(3,4)5-9/h6-7,10H,1-4H3

InChIKey: YQUDZXMXULHYPN-UHFFFAOYSA-N

Smiles:C(#N)C(C)(C)C(O)C(C)C

Mass

MS-NW-8761          
3-hydroxy-2,2,4-trimethylvaleronitrile
C8H15NO             (Mass of molecular ion:    141)

   Source Temperature: 270 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       2.5
      18.0       1.4
      26.0       1.3
      27.0      19.3
      28.0      10.4
      29.0      14.2
      30.0       3.3
      31.0      10.6
      38.0       1.1
      39.0      15.5
      40.0       3.0
      41.0      33.5
      42.0      20.8
      43.0      71.8
      44.0       3.4
      45.0      10.9
      51.0       1.1
      52.0       2.3
      53.0       4.3
      54.0      16.5
      55.0      69.7
      56.0      26.1
      57.0      33.1
      58.0       1.8
      59.0       1.2
      66.0       1.0
      67.0       1.5
      68.0      11.3
      69.0     100.0
      70.0      43.5
      71.0       8.3
      72.0      77.6
      73.0      94.8
      74.0       4.4
      81.0       1.4
      82.0       2.6
      83.0       2.3
      84.0       3.7
      85.0       1.7
      97.0       1.0
      98.0      14.9
      99.0       1.5
     100.0       2.0
     124.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₅ N O	0.05 ml : 0.5 ml CDCl₃
3-hydroxy-2,2,4-trimethylvaleronitrile

    Assign.     Shift(ppm)

      A             3.249
      B             2.64
      C             2.009
      D     *1      1.433
      E     *1      1.346
      F             1.054

     Hz     ppm     Int.

   1300.29   3.254    190
   1297.00   3.246    187
   1055.66   2.642     23
    818.48   2.048     23
    815.31   2.041     23
    811.65   2.031     57
    808.35   2.023     56
    804.81   2.014     77
    801.51   2.006     76
    797.97   1.997     61
    794.68   1.989     59
    791.14   1.980     27
    787.84   1.972     26
    573.00   1.434   1000
    538.09   1.347    973
    424.80   1.063    902
    417.72   1.046    933

in CDCl3