15199-41-4

1,2-环十二烷二醇(顺反异构体混合物)(15199-41-4)核磁图(¹HNMR)

产品名称:1,2-环十二烷二醇(顺反异构体混合物)

CAS:15199-41-4

分子式:C12H24O2

分子量: 200.32

InChI:InChI=1S/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2

InChIKey: HAMFVYJFVXTJCJ-UHFFFAOYSA-N

Smiles:C1(O)CCCCCCCCCCC1O

¹HNMR

IR1

IR2

Mass

MS-IW-9344          
1,2-cyclododecanediol
C12H24O2            (Mass of molecular ion:    200)

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

      15.0       1.2
      18.0       4.1
      19.0       1.5
      27.0      16.6
      28.0       8.5
      29.0      34.1
      30.0       1.7
      31.0      10.6
      39.0      14.4
      40.0       3.0
      41.0      76.7
      42.0      18.3
      43.0      54.1
      44.0      20.5
      45.0       9.9
      47.0       1.0
      53.0       7.1
      54.0      25.2
      55.0      96.3
      56.0      28.2
      57.0      77.2
      58.0       9.6
      59.0       2.8
      60.0       1.8
      61.0       2.0
      65.0       1.4
      66.0       7.6
      67.0      56.8
      68.0      50.5
      69.0      49.6
      70.0      39.6
      71.0      23.8
      72.0       5.1
      73.0       4.1
      74.0       8.6
      75.0       2.9
      77.0       1.8
      78.0       1.5
      79.0      14.8
      80.0      20.0
      81.0      47.1
      82.0     100.0
      83.0      59.5
      84.0      23.6
      85.0      20.8
      86.0       4.3
      87.0       7.2
      91.0       1.3
      93.0      13.0
      94.0      16.0
      95.0      36.8
      96.0      54.2
      97.0      34.7
      98.0      26.9
      99.0       4.9
     100.0       2.8
     101.0      10.9
     107.0       9.3
     108.0       9.2
     109.0      13.8
     110.0      12.4
     111.0      14.0
     112.0       8.0
     113.0       2.2
     114.0       1.2
     115.0       2.8
     121.0      17.2
     122.0       8.2
     123.0       6.1
     124.0       4.5
     125.0       5.2
     126.0       5.8
     127.0       1.2
     135.0      12.4
     136.0       8.5
     137.0       2.1
     138.0       5.5
     139.0       3.1
     140.0       1.2
     149.0       1.7
     151.0       1.5
     152.0       1.0
     153.0       1.1
     154.0       1.3
     164.0       4.1
     165.0       1.0
     169.0       3.3
     182.0       3.4
     183.0       1.5

400 MHz at 60C

¹H NMR	399.65 MHz
C₁₂ H₂₄ O₂	0.040 g : 0.5 ml CDCl₃ at 60 C
1,2-cyclododecanediol

    Assign.     Shift(ppm)

      A             3.788
      A             3.665
      B             2.42
      B             2.15
      C             1.70
      C             1.57
      D             1.45
      D             1.38
      E             1.34
     
     CIS-TRANS MIXTURE

     Hz     ppm     Int.

   1464.97   3.666    290
    966.67   2.419    103
    675.54   1.691    133
    628.66   1.574    149
    575.07   1.439    284
    550.17   1.377    852
    537.84   1.346   1000
    498.54   1.248     30

KBr disc