13429-83-9

(1S)-(-)-樟腦烷酸(13429-83-9)質(zhì)譜(MS)

產(chǎn)品名稱:(1S)-(-)-樟腦烷酸

CAS:13429-83-9

分子式:C10H14O4

分子量: 198.22

InChI:InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m0/s1

InChIKey: KPWKPGFLZGMMFX-VHSXEESVSA-N

Smiles:[C@@]12(C(O)=O)C(C)(C)[C@@](C)(CC1)C(=O)O2

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-8707          
(1S)-(-)-omega-camphanic acid
C10H14O4 H2O        (Mass of molecular ion:    198)

   Source Temperature: 180 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.2
      17.0       1.9
      18.0      11.3
      26.0       1.0
      27.0      15.7
      28.0       8.2
      29.0      10.9
      38.0       1.0
      39.0      22.1
      40.0       4.2
      41.0      53.7
      42.0       5.8
      43.0      29.6
      44.0       2.5
      45.0       5.5
      50.0       1.3
      51.0       4.0
      52.0       1.8
      53.0      11.9
      54.0       4.1
      55.0      64.1
      56.0       4.0
      57.0       2.3
      59.0       1.7
      63.0       1.1
      65.0       4.5
      66.0       1.6
      67.0      31.9
      68.0       3.6
      69.0      27.9
      70.0      12.0
      71.0       1.5
      77.0       7.2
      78.0       1.3
      79.0       6.4
      80.0       1.1
      81.0       8.9
      82.0      37.4
      83.0     100.0
      84.0       7.4
      85.0       1.4
      88.0       2.9
      91.0       6.8
      92.0       1.7
      93.0      27.3
      94.0       3.4
      95.0      16.2
      96.0       3.5
      97.0      32.5
      98.0       2.7
     105.0       1.0
     106.0       1.7
     107.0      34.2
     108.0       8.5
     109.0      89.6
     110.0       9.0
     111.0      21.1
     112.0       4.3
     113.0       2.7
     121.0       2.8
     124.0      21.3
     125.0      44.0
     126.0       5.3
     127.0      27.3
     128.0       2.0
     135.0       1.1
     137.0      18.6
     138.0       2.0
     139.0      68.1
     140.0       6.2
     141.0       1.0
     142.0       1.0
     151.0       1.0
     152.0      54.4
     153.0       6.9
     154.0       6.8
     155.0       2.9
     170.0      69.7
     171.0       7.1
     181.0       1.0
     198.0       1.6
     199.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₄ O₄	0.040 g : 0.5 ml DMSO-d₆
(1S)-(-)-omega-camphanic acid

    Assign.     Shift(ppm)

      A            14.
      B             2.349
      C             1.96
      D             1.90
      E             1.538
      F             1.006
      G             0.844
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

    942.77   2.359     34
    940.21   2.353     35
    938.71   2.349     36
    935.94   2.342     36
    925.25   2.316     30
    786.14   1.968     32
    784.01   1.962     34
    781.66   1.956     42
    771.83   1.932     51
    769.69   1.926     49
    761.36   1.906     37
    757.08   1.895     47
    614.56   1.538     44
    402.15   1.007   1000
    337.62   0.845    535

in DMSO-d6