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返回ChemicalBook首页>CAS数据库列表>3564-95-2更多图谱> 反式-1,3,反式-1,4-对薄荷烷-3,8-二醇(3564-95-2)核磁图(13CNMR)

3564-95-2

反式-1,3,反式-1,4-对薄荷烷-3,8-二醇(3564-95-2)核磁图(13CNMR)

分子式:C10H20O2

分子量: 172.27

InChI:InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+/s3

InChIKey: LMXFTMYMHGYJEI-JEQONRIINA-N

Smiles:C([C@@H]1CC[C@@H](C)C[C@@H]1O)(O)(C)C |&1:1,4,7,r|

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    Mass

    MS-IW-6150          
    (1alpha,3beta,4beta)-p-menthane-3,8-diol
    C10H20O2            (Mass of molecular ion:    172)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       1.5
          27.0       2.9
          29.0       4.2
          31.0       3.7
          39.0       4.0
          41.0      12.9
          42.0       1.5
          43.0      31.7
          44.0       1.2
          45.0       1.0
          53.0       2.8
          54.0      23.5
          55.0      18.2
          56.0       4.5
          57.0       4.3
          58.0       1.2
          59.0      82.4
          60.0       3.0
          61.0       3.9
          66.0       1.4
          67.0      17.2
          68.0      19.4
          69.0      13.4
          70.0       3.2
          71.0       5.8
          72.0       1.4
          77.0      11.1
          79.0       2.9
          80.0       1.7
          81.0     100.0
          82.0       8.4
          83.0       3.6
          84.0       5.0
          85.0       1.7
          93.0       3.4
          94.0       1.6
          95.0      15.9
          96.0      87.4
          97.0      10.0
          98.0       3.8
         107.0       1.1
         109.0       3.7
         110.0       6.3
         111.0       7.8
         112.0       4.2
         121.0       8.0
         123.0       1.1
         136.0       4.7
         137.0       2.1
         139.0      11.5
         140.0       1.1
         154.0      11.9
         155.0       4.1
         157.0       4.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H20 O2 0.038 g : 0.5 ml CDCl3
    (1alpha,3beta,4beta)-p-menthane-3,8-diol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.400 B 3.41 C 3.14 D 1.82 E 1.80 F 1.78 G 1.71 J 1.67 K *1 1.355 L *1 1.216 M 1.15 N 1.04 P 0.92 Q 0.872 ASSIGNED BY C-H AND H-H COSY

         Hz     ppm     Int.
    

       1760.86   4.407     88
       1758.67   4.401    116
       1361.69   3.408    209
       1359.74   3.403    201
       1255.98   3.143    490
        740.23   1.853     32
        736.82   1.844     67
        734.38   1.838     88
        730.83   1.829     65
        728.52   1.823     46
        724.24   1.813    110
        721.80   1.807    144
        721.19   1.805    145
        720.21   1.803    147
        714.48   1.788     52
        713.62   1.786     52
        711.18   1.780     75
        707.89   1.772     73
        705.69   1.766     79
        693.36   1.735     55
        690.80   1.729     31
        689.94   1.727     38
        681.03   1.705     98
        677.73   1.696    102
        673.58   1.686     91
        669.56   1.676    120
        668.21   1.672     79
        666.26   1.668     80
        665.04   1.665     62
        541.63   1.356    988
        486.21   1.217   1000
        469.60   1.176     71
        467.29   1.170     73
        464.48   1.163     68
        462.52   1.158     66
        458.50   1.148     39
        457.40   1.145     45
        455.93   1.141     46
        455.08   1.139     48
        453.13   1.134     60
        450.93   1.129     55
        433.11   1.084     42
        431.40   1.080     37
        418.82   1.048     82
        417.11   1.044     62
        406.01   1.016     34
        403.93   1.011     30
        370.36   0.927     49
        364.99   0.914     46
        357.18   0.894     61
        351.68   0.880    636
        345.46   0.865    602
    

in CDCl3

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KBr disc

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nujol mull

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