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D-樟脑(464-49-3)红外图谱(IR2)

产品名称:D-樟脑

CAS:464-49-3

分子式:C10H16O

分子量: 152.23

InChI:InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

InChIKey: DSSYKIVIOFKYAU-XCBNKYQSSA-N

Smiles:[C@]12(C)C(C)(C)[C@]([H])(CC1)CC2=O


  • Mass

    MS-NW-1984          
    (+)-camphor
    C10H16O             (Mass of molecular ion:    152)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.0
          18.0       1.1
          27.0      11.7
          28.0       1.0
          29.0       7.5
          39.0      16.1
          40.0       3.2
          41.0      44.3
          42.0       2.7
          43.0       7.5
          50.0       1.0
          51.0       2.7
          52.0       1.5
          53.0       8.2
          54.0       2.4
          55.0      28.8
          56.0       2.0
          57.0       1.2
          65.0       2.5
          66.0       1.2
          67.0      18.1
          68.0      16.1
          69.0      33.8
          70.0       2.3
          77.0       3.8
          79.0       4.5
          80.0      13.5
          81.0      72.0
          82.0      12.8
          83.0      34.3
          84.0       2.6
          91.0       2.7
          93.0      10.1
          94.0       1.7
          95.0     100.0
          96.0       9.5
          97.0       5.5
         107.0       1.2
         108.0      42.6
         109.0      29.8
         110.0      14.3
         111.0       1.5
         123.0       1.0
         124.0       1.3
         137.0       3.7
         152.0      29.6
         153.0       3.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C10 H16 O 0.042 g : 0.5 ml CDCl3
    (+)-camphor
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.36 B 2.094 C 1.96 D 1.848 E 1.68 F 1.37 G 1.37 J 0.961 K 0.915 L 0.838 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

         Hz     ppm     Int.
    

        207.13   2.313     32
        204.63   2.285     38
        202.56   2.262     54
        200.13   2.235     57
        192.00   2.144     41
        191.63   2.140     41
        188.13   2.101     85
        184.63   2.062     44
        182.88   2.042     52
        178.25   1.991     30
        172.31   1.924    200
        162.88   1.819     36
        161.75   1.807     32
        154.38   1.724    100
        152.81   1.707     52
        151.75   1.695     56
        150.38   1.680     50
        150.00   1.675     50
        137.00   1.530     31
        134.56   1.503     55
        130.00   1.452     66
        127.38   1.423     87
        122.06   1.363     59
        117.81   1.316     64
        115.31   1.288     37
         86.31   0.964    710
         81.81   0.914   1000
         75.25   0.841    674
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



4880 A,200 M,powder



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