5744-03-6

全氢化芴(5744-03-6)Raman光谱

产品名称:全氢化芴

CAS:5744-03-6

分子式:C13H22

分子量: 178.31

InChI:InChI=1S/C13H22/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h10-13H,1-9H2

InChIKey: OLWAZOBRCQWWDB-UHFFFAOYSA-N

Smiles:C1C2C(CCCC2)C2C1CCCC2

Mass

MS-NW-0085          
dodecahydrofluorene
C13H22              (Mass of molecular ion:    178)

   Source Temperature: 240 °C
   Sample Temperature:  95 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       5.9
      28.0       5.8
      29.0       6.2
      39.0      10.2
      40.0       1.7
      41.0      25.0
      42.0       1.9
      43.0       2.2
      51.0       2.0
      52.0       1.2
      53.0       8.9
      54.0      15.3
      55.0      27.9
      56.0       1.5
      57.0       1.0
      65.0       4.0
      66.0       3.9
      67.0      56.5
      68.0      15.0
      69.0       4.4
      77.0       7.4
      78.0       1.9
      79.0      16.4
      80.0      10.5
      81.0      54.8
      82.0      42.0
      83.0       7.9
      91.0       6.9
      92.0       1.5
      93.0       8.4
      94.0       5.8
      95.0      13.0
      96.0      87.6
      97.0     100.0
      98.0       7.7
     105.0       1.3
     107.0       2.7
     108.0       1.7
     109.0       3.0
     110.0       1.5
     120.0       1.6
     121.0      16.5
     122.0       2.8
     135.0       5.6
     136.0       1.9
     149.0       1.8
     150.0       1.9
     178.0      25.4
     179.0       3.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₂	0.04 ml : 0.5 ml CDCl₃
dodecahydrofluorene

    Assign.     Shift(ppm)

      A             1.94
      B             1.84
      C             1.73
      D             1.63
      E             1.55
      F             1.46
      G             1.35
      J             1.22
     
     NOT ASSIGNED

     Hz     ppm     Int.

    745.61   1.866    377
    739.62   1.851    438
    738.16   1.848    358
    735.96   1.842    346
    733.64   1.836    368
    732.30   1.833    390
    696.90   1.744    431
    692.38   1.733    346
    684.33   1.713    514
    655.03   1.640    391
    652.59   1.633    499
    647.34   1.620    625
    645.26   1.615    458
    642.33   1.608    388
    639.28   1.600    377
    629.88   1.577    336
    629.03   1.574    331
    627.44   1.570    379
    623.90   1.562    386
    623.29   1.560    359
    621.58   1.556    356
    616.33   1.543    361
    615.23   1.540    409
    611.82   1.531    377
    610.84   1.529    375
    609.50   1.526    379
    594.24   1.487    643
    593.63   1.486    643
    589.23   1.475    558
    588.26   1.472    543
    586.30   1.468    661
    584.96   1.464    647
    583.50   1.461    578
    582.64   1.458    605
    581.42   1.455    639
    580.44   1.453    674
    577.64   1.446    778
    575.56   1.441    438
    573.61   1.436    418
    572.51   1.433    360
    568.85   1.424    408
    566.28   1.417    353
    558.84   1.399    569
    555.18   1.390    470
    554.32   1.388    480
    550.42   1.378    510
    548.71   1.373    575
    547.73   1.371    750
    546.63   1.368    909
    545.04   1.364    749
    542.48   1.358    752
    541.75   1.356    729
    539.55   1.351   1000
    538.33   1.348    939
    536.13   1.342    697
    535.03   1.339    623
    530.15   1.327    674
    527.95   1.322    792
    526.61   1.318    701
    525.76   1.316    562
    523.07   1.309    426
    517.46   1.295    385
    515.50   1.290    492
    492.07   1.232    335
    488.28   1.222    382
    486.45   1.218    345
    484.86   1.214    435

in CDCl3