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493-01-6

順式十氫化萘(493-01-6)質(zhì)譜(MS)

產(chǎn)品名稱:順式十氫化萘

CAS:493-01-6

分子式:C10H18

分子量: 138.25

InChI:InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+

InChIKey: NNBZCPXTIHJBJL-AOOOYVTPSA-N

Smiles:C1[C@@]2([H])[C@]([H])(CCCC2)CCC1

Mass

MS-NW-2221          
cis-decahydronaphthalene
C10H18              (Mass of molecular ion:    138)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.0
      27.0      12.8
      28.0       1.0
      29.0      11.1
      39.0      18.5
      40.0       3.2
      41.0      43.8
      42.0       3.8
      43.0       3.9
      51.0       2.7
      52.0       1.6
      53.0      10.9
      54.0      19.2
      55.0      34.1
      56.0       3.2
      57.0       1.1
      65.0       3.3
      66.0       6.4
      67.0      90.8
      68.0      36.5
      69.0      18.7
      70.0       2.4
      77.0       4.3
      78.0       1.2
      79.0       8.8
      80.0       6.3
      81.0      86.3
      82.0      69.5
      83.0      11.7
      91.0       2.2
      93.0       2.8
      94.0       3.0
      95.0      50.8
      96.0     100.0
      97.0      11.0
     108.0       1.1
     109.0      32.4
     110.0       9.3
     123.0       1.2
     138.0      84.8
     139.0       9.4

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₈	0.04 ml : 0.5 ml CDCl₃
cis-decahydronaphthalene

    Assign.     Shift(ppm)

      A             1.62
      B          1.82 to 1.07

     Hz     ppm     Int.

    162.31   1.813     26
    161.63   1.805     29
    159.06   1.777     50
    158.06   1.765     62
    156.94   1.753     72
    144.50   1.614    529
    139.13   1.554    377
    133.75   1.494    687
    133.25   1.488    690
    128.31   1.433    998
    127.81   1.428   1000
    126.94   1.418    993
    126.50   1.413    995
    126.19   1.409    993
    115.63   1.292    302
    114.88   1.283    307
    101.88   1.138     46
    100.19   1.119     34
     99.63   1.113     28

¹H NMR	399.65 MHz
C₁₀ H₁₈	0.023 g : 0.5 ml CDCl₃
cis-decahydronaphthalene

    Assign.     Shift(ppm)

      A             1.65
      B     *1      1.52
      C     *1      1.31
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

    685.42   1.716     27
    660.40   1.653    567
    610.96   1.529   1000
    523.32   1.310    989

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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