D-樟腦(464-49-3)質(zhì)譜(MS)

產(chǎn)品名稱:D-樟腦

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

    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