630-05-7

正三十三烷(630-05-7)质谱(MS)

分子式:C33H68

分子量: 464.89

InChI:InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3

InChIKey: SUJUOAZFECLBOA-UHFFFAOYSA-N

Smiles:CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Mass

MS-NW-7070          
tritriacontane
C33H68              (Mass of molecular ion:    464)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      27.0       2.3
      29.0       8.7
      39.0       1.6
      41.0      20.8
      42.0       5.7
      43.0      67.3
      44.0       2.4
      54.0       2.5
      55.0      24.8
      56.0      13.3
      57.0     100.0
      58.0       4.6
      67.0       3.1
      68.0       3.4
      69.0      18.8
      70.0      11.1
      71.0      71.5
      72.0       4.2
      81.0       1.9
      82.0       4.6
      83.0      17.1
      84.0       8.1
      85.0      52.9
      86.0       3.7
      95.0       1.0
      96.0       3.1
      97.0      15.0
      98.0       6.2
      99.0      21.4
     100.0       1.7
     110.0       1.7
     111.0       8.1
     112.0       5.5
     113.0      16.5
     114.0       1.5
     124.0       1.1
     125.0       4.8
     126.0       4.9
     127.0      13.0
     128.0       1.4
     139.0       2.6
     140.0       4.4
     141.0      10.8
     142.0       1.3
     153.0       1.7
     154.0       4.0
     155.0       9.3
     156.0       1.2
     167.0       1.2
     168.0       3.7
     169.0       8.0
     170.0       1.1
     182.0       3.3
     183.0       7.1
     184.0       1.0
     196.0       3.0
     197.0       6.3
     198.0       1.0
     210.0       2.7
     211.0       5.7
     224.0       2.5
     225.0       5.5
     238.0       2.2
     239.0       4.9
     252.0       2.0
     253.0       4.4
     266.0       1.8
     267.0       4.1
     280.0       1.6
     281.0       3.8
     294.0       1.6
     295.0       3.6
     308.0       1.4
     309.0       3.5
     322.0       1.4
     323.0       3.4
     336.0       1.2
     337.0       3.2
     350.0       1.1
     351.0       3.1
     364.0       1.0
     365.0       2.9
     379.0       2.8
     393.0       2.7
     407.0       2.3
     421.0       1.4
     435.0       1.0
     464.0       5.2
     465.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃₃ H₆₈	0.038 g : 0.5 ml CDCl₃
tritriacontane

    Assign.     Shift(ppm)

      A             1.26
      B             0.88

     Hz     ppm     Int.

    112.44   1.256   1000
     78.69   0.879     40

in CDCl3

KBr disc

nujol mull

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