13401-56-4

3-氯-2,2-二甲基-1-丙醇(13401-56-4)质谱(MS)

产品名称:3-氯-2,2-二甲基-1-丙醇

CAS:13401-56-4

分子式:C5H11ClO

分子量: 122.59

InChI:InChI=1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3

InChIKey: CAZPRAORHCOIHC-UHFFFAOYSA-N

Smiles:C(O)C(C)(C)CCl

Mass

MS-NW-7402          
3-chloro-2,2-dimethyl-1-propanol
C5H11ClO            (Mass of molecular ion:    122)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       8.7
      28.0       2.1
      29.0      11.3
      31.0      12.9
      38.0       1.2
      39.0      11.7
      40.0       2.0
      41.0      21.6
      42.0       1.5
      43.0      11.6
      45.0       6.7
      49.0       2.3
      50.0       1.0
      51.0       1.4
      53.0       4.7
      54.0       2.1
      55.0      59.0
      56.0     100.0
      57.0       8.2
      63.0       6.3
      65.0       2.3
      69.0       2.1
      71.0       2.7
      73.0      42.0
      74.0       2.1
      75.0       1.1
      77.0       1.6
      86.0       1.0
      89.0       1.0
      90.0      13.4
      91.0      15.3
      92.0       5.2
      93.0       5.2
     107.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₁ Cl O	0.05 ml : 0.5 ml CDCl₃
3-chloro-2,2-dimethyl-1-propanol

    Assign.     Shift(ppm)

      A             4.16
      B             3.435
      C             3.395
      D             0.961

     Hz     ppm     Int.

   1668.82   4.176    152
   1663.09   4.162    288
   1657.35   4.148    148
   1385.38   3.467     40
   1372.80   3.436    807
   1359.50   3.402    486
   1353.64   3.388    452
    445.80   1.116     37
    411.01   1.029     22
    409.30   1.025     26
    408.33   1.022     29
    396.48   0.993    139
    384.16   0.962   1000
    370.61   0.928    108
    357.91   0.896     29
    357.06   0.894     28
    319.58   0.800     35

in CDCl3