3344-77-2

12-溴-1-十二烷醇(3344-77-2)红外图谱(IR2)

产品名称:12-溴-1-十二烷醇

CAS:3344-77-2

分子式:C12H25BrO

分子量: 265.23

InChI:InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2

InChIKey: ASIDMJNTHJYVQJ-UHFFFAOYSA-N

Smiles:C(O)CCCCCCCCCCCBr

Mass

MS-NW-9923          
12-bromo-1-dodecanol
C12H25BrO           (Mass of molecular ion:    264)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       5.0
      18.0      26.1
      27.0       7.1
      28.0       1.1
      29.0      14.3
      31.0       9.0
      39.0       6.9
      40.0       1.5
      41.0      54.7
      42.0      15.0
      43.0      35.2
      44.0       2.2
      45.0       1.7
      53.0       3.7
      54.0       9.0
      55.0      98.0
      56.0      29.4
      57.0      27.7
      58.0       1.4
      65.0       1.2
      66.0       1.1
      67.0      18.9
      68.0      32.9
      69.0     100.0
      70.0      23.9
      71.0       7.8
      73.0       2.4
      79.0       1.5
      80.0       1.2
      81.0      14.9
      82.0      26.4
      83.0      85.8
      84.0      13.0
      85.0       4.0
      95.0       8.3
      96.0       8.5
      97.0      74.1
      98.0       7.8
     107.0       2.4
     109.0       6.2
     110.0       2.7
     111.0      14.5
     112.0       2.4
     121.0       1.6
     123.0       4.5
     124.0       1.2
     125.0       4.7
     134.0       3.6
     135.0      12.4
     136.0       4.1
     137.0      12.0
     138.0       1.5
     139.0       1.4
     148.0      33.7
     149.0       4.4
     150.0      31.7
     151.0       3.7
     161.0       1.0
     162.0      17.3
     163.0       4.1
     164.0      17.0
     165.0       1.6
     176.0       4.3
     177.0       1.3
     178.0       4.0
     190.0       1.6
     192.0       1.3
     205.0       1.1
     218.0       2.5
     220.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₅ Br O	0.031 g : 0.5 ml CDCl₃
12-bromo-1-dodecanol

    Assign.     Shift(ppm)

      A             3.633
      B             3.408
      C             1.852
      D             1.563
      E             1.54
      F             1.42
      G             1.28

     Hz     ppm     Int.

   1458.62   3.650    183
   1452.03   3.634    349
   1445.31   3.617    181
   1369.14   3.426    346
   1362.30   3.409    703
   1355.47   3.392    352
    754.64   1.889     77
    747.68   1.871    190
    745.24   1.865     51
    740.72   1.854    204
    732.91   1.834    197
    726.07   1.817     88
    638.67   1.599     38
    631.96   1.582    105
    624.63   1.563    152
    624.15   1.562    152
    617.31   1.545    238
    610.72   1.529     63
    575.20   1.440     83
    567.99   1.422    111
    560.67   1.403     89
    553.47   1.385     55
    551.15   1.380     40
    550.54   1.378     40
    544.19   1.362     81
    543.82   1.361     81
    542.11   1.357     83
    534.42   1.338    147
    525.39   1.315    286
    510.99   1.279   1000

in CDCl3